(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol

C14H28O2Si — CID 11514402

IUPAC(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC1=CCCC[C@]1(C)O
InChIInChI=1S/C14H28O2Si/c1-13(2,3)17(5,6)16-11-12-9-7-8-10-14(12,4)15/h9,15H,7-8,10-11H2,1-6H3/t14-/m0/s1
InChIKeyWCVLCUMSVLKAFS-AWEZNQCLSA-N
MW256.46 g/mol
LogP3.87
Rot. Bonds3

About (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol

(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol (PubChem CID 11514402) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol
PubChem CID11514402
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC1=CCCC[C@]1(C)O
InChIInChI=1S/C14H28O2Si/c1-13(2,3)17(5,6)16-11-12-9-7-8-10-14(12,4)15/h9,15H,7-8,10-11H2,1-6H3/t14-/m0/s1
InChIKeyWCVLCUMSVLKAFS-AWEZNQCLSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol 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-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethylcyclohex-2-en-1-ol
CID 12166123
1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cyclohexan-1-ol
CID 13183200
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
CID 101808796
(5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol
CID 134945472
(2S)-2-(cyclohexen-1-yl)-3-trimethylsilylpenta-3,4-dien-2-ol
CID 134963467
[6-[Tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]methanol
CID 134965784
(3aR,13aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclopenta[12]annulen-3a-ol
CID 138968866
4-[Tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol
CID 138970503
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
CID 164668674
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecylcyclopent-2-en-1-ol
CID 10928304

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol?
The IUPAC name of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol (CID 11514402) is (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol is CC(C)(C)[Si](C)(C)OCC1=CCCC[C@]1(C)O.
What is the InChIKey of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol?
The InChIKey is WCVLCUMSVLKAFS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-13(2,3)17(5,6)16-11-12-9-7-8-10-14(12,4)15/h9,15H,7-8,10-11H2,1-6H3/t14-/m0/s1.
What are the key properties of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol?
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 11514402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).