Software for chemicals, Pharmaceutical & Biotech Industry

Compound 93
  CheckMol                        TMF02:r0:m0
MF=C16H22O4 MW=278.35
 20 20  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070    0.7536   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6140    0.0235   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3188    2.2608   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6258   -1.4601   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6258    3.0144   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0144   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9328   -2.2019   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9328    2.2843   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6376    4.5215   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5215   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2398   -1.4483   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9446   -3.6855   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9446    0.8007   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2398    3.0379   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3541    5.2751   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5468    2.3079   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8538    3.0615   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8656    4.5686   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1608    2.3314   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16 02  0  1  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 11 16 01  0  1  0  0
M  END

Diisobutyl Phthalate

₹ 0.00 0.00

Chemical Name - Diisobutyl Phthalate
Mol Weight - 278.347
Smiles - CC(C)COC(c(cccc1)c1C(OCC(C)C)=O)=O

Property Name	Property Value
Mol Name	Diisobutyl Phthalate
Molweight	278.347
Monoisotopic Mass	278.15181
Clogp	3.6436
Clogs	-3.358
H Acceptors	4
Total Surface Area	230.32
Relative Psa	0.20007
Polar Surface Area	52.6
Druglikeness	-1.4587
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Shape Index	0.6
Molecular Flexibility	0.55603
Molecular Complexity	0.70997
Fragments	1
Non H Atoms	20
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	8
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	10
Symmetric Atoms	11
Smiles	CC(C)COC(c(cccc1)c1C(OCC(C)C)=O)=O
InChIKey	InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChI	MGWAVDBGNNKXQV-UHFFFAOYSA-N

Copyrights

The copyrights of data, design, and listing all reserved to Global Manufacturers and its associated sites.

Company profile , trade leads and products are user generated content.

Molecule Properties are generated theoretically any objection please contact us

Shipping

Usually delivered in 3-4 days

Enter pincode for exact delivery dates/charges

Credit / Debit Card Payment

We accept all major credit / debit card for payment, you can also pay through online banking.

Cash On Delivery

If Available. Select Cash on Delivery (CoD) payment option while placing the order and later, pay in cash at the time of actual delivery of product. No advance payment needed.

Click to Load Molecule
1 - Diisobutyl Phthalate
2 - Diisobutyl Phthalate

Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Diisobutyl Phthalate