(E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol

C25H42OSi — CID 135062450

IUPAC(E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol
SMILESCC[Si](CC)(CC)/C(=C/C(C)C)CC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C25H42OSi/c1-6-27(7-2,8-3)24(19-21(4)5)20-25(26,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9,11-12,15-16,19,21,23,26H,6-8,10,13-14,17-18,20H2,1-5H3/b24-19+
InChIKeyHSSAQIOKVXZLAU-LYBHJNIJSA-N
MW386.70 g/mol
LogP7.47
Rot. Bonds9

About (E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol

(E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol (PubChem CID 135062450) has the molecular formula C25H42OSi and a molecular weight of 386.70 g/mol. Its IUPAC name is (E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol.

Molecular Properties

Compound Name(E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol
PubChem CID135062450
Molecular FormulaC25H42OSi
Molecular Weight386.70 g/mol
Exact Mass386.30
IUPAC Name(E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol
SMILESCC[Si](CC)(CC)/C(=C/C(C)C)CC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C25H42OSi/c1-6-27(7-2,8-3)24(19-21(4)5)20-25(26,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9,11-12,15-16,19,21,23,26H,6-8,10,13-14,17-18,20H2,1-5H3/b24-19+
InChIKeyHSSAQIOKVXZLAU-LYBHJNIJSA-N
XLogP7.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.70
LogP ≤ 57.47
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

2-Phenyl-2-propanol
CID 12053
Triphenylcarbinol
CID 6457
1-Phenylcyclohexanol
CID 15319
1,1-Diphenylethanol
CID 69031
1,1,2-Triphenylethanol
CID 245013
Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935
alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
2-Phenylbutan-2-ol
CID 15283
Cyclohexyl-diphenyl-methanol
CID 275162
1,2-Diphenyl-2-propanol
CID 95356
2-Phenyl-pentan-2-ol
CID 138214
3-Phenylpentan-3-ol
CID 238511

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol?
The IUPAC name of (E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol (CID 135062450) is (E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol.
What is the SMILES notation for (E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol?
The canonical SMILES for (E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol is CC[Si](CC)(CC)/C(=C/C(C)C)CC(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol?
The InChIKey is HSSAQIOKVXZLAU-LYBHJNIJSA-N. The full InChI is InChI=1S/C25H42OSi/c1-6-27(7-2,8-3)24(19-21(4)5)20-25(26,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9,11-12,15-16,19,21,23,26H,6-8,10,13-14,17-18,20H2,1-5H3/b24-19+.
What are the key properties of (E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol?
(E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol has a molecular weight of 386.70 g/mol, XLogP of 7.47, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol is sourced from PubChem (CID 135062450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).