2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol

C21H42O2Si — CID 10269552

IUPAC2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol
SMILESCCCCCCCCCC(C)(O)[C@@H]1CC=C(C)C(O[Si](C)(C)C)C1
InChIInChI=1S/C21H42O2Si/c1-7-8-9-10-11-12-13-16-21(3,22)19-15-14-18(2)20(17-19)23-24(4,5)6/h14,19-20,22H,7-13,15-17H2,1-6H3/t19-,20?,21?/m1/s1
InChIKeyFOSMNEQAFMUQSM-QNGMFEMESA-N
MW354.65 g/mol
LogP6.45
Rot. Bonds11

About 2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol

2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol (PubChem CID 10269552) has the molecular formula C21H42O2Si and a molecular weight of 354.65 g/mol. Its IUPAC name is 2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol.

Molecular Properties

Compound Name2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol
PubChem CID10269552
Molecular FormulaC21H42O2Si
Molecular Weight354.65 g/mol
Exact Mass354.30
IUPAC Name2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol
SMILESCCCCCCCCCC(C)(O)[C@@H]1CC=C(C)C(O[Si](C)(C)C)C1
InChIInChI=1S/C21H42O2Si/c1-7-8-9-10-11-12-13-16-21(3,22)19-15-14-18(2)20(17-19)23-24(4,5)6/h14,19-20,22H,7-13,15-17H2,1-6H3/t19-,20?,21?/m1/s1
InChIKeyFOSMNEQAFMUQSM-QNGMFEMESA-N
XLogP6.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
CID 134827941
(1S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methylcyclohex-2-en-1-ol
CID 177650590
(1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol
CID 11652450
(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
CID 10595092
2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol
CID 10971240
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
CID 11122130
trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 11759563
(3R,4RS,7R)-1-(tert-Butyldimethylsilyloxy)-3,7,11-trimethyl-10-dodecen-4-ol
CID 23727931
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
trans-(1R,2R)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 101029064
(1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol
CID 134865794

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol?
The IUPAC name of 2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol (CID 10269552) is 2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol.
What is the SMILES notation for 2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol?
The canonical SMILES for 2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol is CCCCCCCCCC(C)(O)[C@@H]1CC=C(C)C(O[Si](C)(C)C)C1.
What is the InChIKey of 2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol?
The InChIKey is FOSMNEQAFMUQSM-QNGMFEMESA-N. The full InChI is InChI=1S/C21H42O2Si/c1-7-8-9-10-11-12-13-16-21(3,22)19-15-14-18(2)20(17-19)23-24(4,5)6/h14,19-20,22H,7-13,15-17H2,1-6H3/t19-,20?,21?/m1/s1.
What are the key properties of 2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol?
2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol has a molecular weight of 354.65 g/mol, XLogP of 6.45, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]undecan-2-ol is sourced from PubChem (CID 10269552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).