4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol

C16H34OSi — CID 13280432

IUPAC4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol
SMILESCCC(C1(O)CCC(C(C)(C)C)CC1)[Si](C)(C)C
InChIInChI=1S/C16H34OSi/c1-8-14(18(5,6)7)16(17)11-9-13(10-12-16)15(2,3)4/h13-14,17H,8-12H2,1-7H3
InChIKeyCQZBFJILGYURHI-UHFFFAOYSA-N
MW270.53 g/mol
LogP5.07
Rot. Bonds3

About 4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol

4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol (PubChem CID 13280432) has the molecular formula C16H34OSi and a molecular weight of 270.53 g/mol. Its IUPAC name is 4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol
PubChem CID13280432
Molecular FormulaC16H34OSi
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Name4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol
SMILESCCC(C1(O)CCC(C(C)(C)C)CC1)[Si](C)(C)C
InChIInChI=1S/C16H34OSi/c1-8-14(18(5,6)7)16(17)11-9-13(10-12-16)15(2,3)4/h13-14,17H,8-12H2,1-7H3
InChIKeyCQZBFJILGYURHI-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol (CID 13280432) is 4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol is CCC(C1(O)CCC(C(C)(C)C)CC1)[Si](C)(C)C.
What is the InChIKey of 4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol?
The InChIKey is CQZBFJILGYURHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OSi/c1-8-14(18(5,6)7)16(17)11-9-13(10-12-16)15(2,3)4/h13-14,17H,8-12H2,1-7H3.
What are the key properties of 4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol?
4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol has a molecular weight of 270.53 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1-trimethylsilylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 13280432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).