(2-tert-Butylcyclohexyl)phosphane

CAS Number: 62337-90-0
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CC(C)(C)C(CCCC1)C1P
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H21P
Molecular Weight
172.251
Drug-likeness
-10.933
CAS
62337-90-0
InChI key
YQHVUWBOIZANBY-UHFFFAOYSA-N
SMILES
CC(C)(C)C(CCCC1)C1P
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62337-90-0
Molecule Name (2-tert-Butylcyclohexyl)phosphane
Molecular Formula C10H21P
SMILES CC(C)(C)C(CCCC1)C1P
InChI InChI=1S/C10H21P/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9H,4-7,11H2,1-3H3
InChI Key YQHVUWBOIZANBY-UHFFFAOYSA-N
CanonicalSyTyLFy e50041742beabbf9
TotalMolweight 172.251
Molecular Weight 172.251
MonoisotopicMass 172.138087
CLogP 3.2748
CLogS -3.053
TotalSurfaceArea 120.48
Drug-likeness -10.933
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.54545
Molecula Flexibility 0.53104
Molecular Complexity 0.6089
Fragments 1
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 11
Symmetricatoms 2
StereoCon unknown chirality

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