1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol

C16H28OSi — CID 101386352

IUPAC1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol
SMILESCC(C)(C)c1ccc(C(O)CC[Si](C)(C)C)cc1
InChIInChI=1S/C16H28OSi/c1-16(2,3)14-9-7-13(8-10-14)15(17)11-12-18(4,5)6/h7-10,15,17H,11-12H2,1-6H3
InChIKeyCVCDGLUKDSJURV-UHFFFAOYSA-N
MW264.49 g/mol
LogP4.75
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol

1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol (PubChem CID 101386352) has the molecular formula C16H28OSi and a molecular weight of 264.49 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol
PubChem CID101386352
Molecular FormulaC16H28OSi
Molecular Weight264.49 g/mol
Exact Mass264.19
IUPAC Name1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol
SMILESCC(C)(C)c1ccc(C(O)CC[Si](C)(C)C)cc1
InChIInChI=1S/C16H28OSi/c1-16(2,3)14-9-7-13(8-10-14)15(17)11-12-18(4,5)6/h7-10,15,17H,11-12H2,1-6H3
InChIKeyCVCDGLUKDSJURV-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111422585
4-(4-tert-butylphenyl)-1-phenylbutan-1-ol
CID 64513068
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
1-(4-tert-butylphenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
CID 156764453
4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65298089

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol (CID 101386352) is 1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol is CC(C)(C)c1ccc(C(O)CC[Si](C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol?
The InChIKey is CVCDGLUKDSJURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-16(2,3)14-9-7-13(8-10-14)15(17)11-12-18(4,5)6/h7-10,15,17H,11-12H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol?
1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol has a molecular weight of 264.49 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-trimethylsilylpropan-1-ol is sourced from PubChem (CID 101386352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).