1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one

C14H29OPSi — CID 23414947

IUPAC1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)P(C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C14H29OPSi/c1-14(2,3)13(15)16(17(4,5)6)12-10-8-7-9-11-12/h12H,7-11H2,1-6H3
InChIKeyVEIXYESWPKQYEI-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.21
Rot. Bonds3

About 1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one

1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one (PubChem CID 23414947) has the molecular formula C14H29OPSi and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one
PubChem CID23414947
Molecular FormulaC14H29OPSi
Molecular Weight272.44 g/mol
Exact Mass272.17
IUPAC Name1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)P(C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C14H29OPSi/c1-14(2,3)13(15)16(17(4,5)6)12-10-8-7-9-11-12/h12H,7-11H2,1-6H3
InChIKeyVEIXYESWPKQYEI-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-3-methylbutan-2-one
CID 20782049
2-cyclohexyl-2-methylpropanoate
CID 57470554
palladium(2+);bis(tricyclohexylphosphane);diacetate
CID 11983532
tert-butyl cyclododecanecarboxylate
CID 154013086
propanoic acid;ruthenium;bis(tricyclohexylphosphane)
CID 10974652
dicyclohexylphosphanylmethanethioic S-acid
CID 87473509
acetic acid;tert-butylcyclohexane
CID 69013500
cyclopentane;2,2-dimethylpropanamide
CID 90008477
cyclobutane;2,2-dimethylpropanamide
CID 145147245
tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane
CID 177409079
1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one
CID 116595247
1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 64593206

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one (CID 23414947) is 1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)P(C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of 1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one?
The InChIKey is VEIXYESWPKQYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29OPSi/c1-14(2,3)13(15)16(17(4,5)6)12-10-8-7-9-11-12/h12H,7-11H2,1-6H3.
What are the key properties of 1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one?
1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one has a molecular weight of 272.44 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(trimethylsilyl)phosphanyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 23414947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).