2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol

C15H30OSi — CID 134980823

IUPAC2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
SMILESCC(C)(C)[C@@H]1C=C[C@H](CCO)C([Si](C)(C)C)C1
InChIInChI=1S/C15H30OSi/c1-15(2,3)13-8-7-12(9-10-16)14(11-13)17(4,5)6/h7-8,12-14,16H,9-11H2,1-6H3/t12-,13-,14?/m1/s1
InChIKeyVCPDPYGCDHNGJN-ZFXTZCCVSA-N
MW254.49 g/mol
LogP4.32
Rot. Bonds3

About 2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol

2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol (PubChem CID 134980823) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is 2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
PubChem CID134980823
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
SMILESCC(C)(C)[C@@H]1C=C[C@H](CCO)C([Si](C)(C)C)C1
InChIInChI=1S/C15H30OSi/c1-15(2,3)13-8-7-12(9-10-16)14(11-13)17(4,5)6/h7-8,12-14,16H,9-11H2,1-6H3/t12-,13-,14?/m1/s1
InChIKeyVCPDPYGCDHNGJN-ZFXTZCCVSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Methylcyclohex-2-en-1-yl)propan-1-ol
CID 565256
2-(4-Tert-butylcyclohexen-1-yl)ethanol
CID 12815296
[4-(2,2,3-Trimethylcyclopent-3-enyl)cyclohex-3-enyl]methanol
CID 24771797
2-(1-Ethenyl-2,4-dimethylcyclohex-3-en-1-yl)ethanol
CID 68484914
3-(6-Trimethylsilylcyclohex-2-en-1-yl)propan-1-ol
CID 10420734
[(1R,2R)-2-trimethylsilylcyclohex-3-en-1-yl]methanol
CID 10976178
3-(3-Hydroxy-2-methylpropyl)cyclohexene
CID 14289084
3-(1-Methylcyclohex-2-en-1-yl)propan-1-ol
CID 14950086
(2-Trimethylsilylcyclohex-3-en-1-yl)methanol
CID 14961467
2-(6-Trimethylsilylcyclohex-2-en-1-yl)ethanol
CID 73116563
((1S,2S,3R)-2-butyl-3-((E)-hex-1-en-1-yl)-2-methylcyclopropyl)methanol
CID 134686937
((1S,2S,3R)-2-butyl-3-((Z)-hex-1-en-1-yl)-2-methylcyclopropyl)methan-d2-ol
CID 134686940

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol?
The IUPAC name of 2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol (CID 134980823) is 2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol.
What is the SMILES notation for 2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol?
The canonical SMILES for 2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol is CC(C)(C)[C@@H]1C=C[C@H](CCO)C([Si](C)(C)C)C1.
What is the InChIKey of 2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol?
The InChIKey is VCPDPYGCDHNGJN-ZFXTZCCVSA-N. The full InChI is InChI=1S/C15H30OSi/c1-15(2,3)13-8-7-12(9-10-16)14(11-13)17(4,5)6/h7-8,12-14,16H,9-11H2,1-6H3/t12-,13-,14?/m1/s1.
What are the key properties of 2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol?
2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol has a molecular weight of 254.49 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol is sourced from PubChem (CID 134980823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).