6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol

C25H48OSi — CID 56991741

IUPAC6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol
SMILESCCCCCCC=C[C@H]1CCC[C@@H]1CC=C(C)CCCCC(O)[Si](C)(C)C
InChIInChI=1S/C25H48OSi/c1-6-7-8-9-10-11-16-23-17-14-18-24(23)21-20-22(2)15-12-13-19-25(26)27(3,4)5/h11,16,20,23-26H,6-10,12-15,17-19,21H2,1-5H3/t23-,24+,25?/m0/s1
InChIKeyDQQXKLQZLSWJNX-ZXABPTRBSA-N
MW392.74 g/mol
LogP8.06
Rot. Bonds14

About 6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol

6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol (PubChem CID 56991741) has the molecular formula C25H48OSi and a molecular weight of 392.74 g/mol. Its IUPAC name is 6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol.

Molecular Properties

Compound Name6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol
PubChem CID56991741
Molecular FormulaC25H48OSi
Molecular Weight392.74 g/mol
Exact Mass392.35
IUPAC Name6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol
SMILESCCCCCCC=C[C@H]1CCC[C@@H]1CC=C(C)CCCCC(O)[Si](C)(C)C
InChIInChI=1S/C25H48OSi/c1-6-7-8-9-10-11-16-23-17-14-18-24(23)21-20-22(2)15-12-13-19-25(26)27(3,4)5/h11,16,20,23-26H,6-10,12-15,17-19,21H2,1-5H3/t23-,24+,25?/m0/s1
InChIKeyDQQXKLQZLSWJNX-ZXABPTRBSA-N
XLogP8.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.74
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol with MolForge

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Related Compounds

3-(6-Trimethylsilylcyclohex-2-en-1-yl)propan-1-ol
CID 10420734
2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol
CID 134861774
3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
CID 134980037
(1S)-1-[(1R,2E,3E)-2-hexylidene-3-(trimethylsilylmethylidene)cyclopentyl]nonan-1-ol
CID 134982741
1-[3-Ethenyl-2-(trimethylsilylmethyl)cyclopentyl]-3-methylbutan-1-ol
CID 134995820
1-[3-Ethenyl-2-(trimethylsilylmethyl)cyclopentyl]pentan-1-ol
CID 134996014
(t-Butyl-dimethylsilyl)[2-methyl-2-(4-methyl-pent-3-enyl)-cyclopropyl]-methanol
CID 552266
1-(4-Trimethylsilylmethyl-3-cyclohexenyl)-5-methyl-4-hexen-1-ol
CID 101621183
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptan-1-ol
CID 18595125
2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol
CID 22808676
8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol
CID 54079332
7-[(1S,2S)-2-oct-1-enylcyclopentyl]heptan-1-ol
CID 54106882

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol?
The IUPAC name of 6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol (CID 56991741) is 6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol.
What is the SMILES notation for 6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol?
The canonical SMILES for 6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol is CCCCCCC=C[C@H]1CCC[C@@H]1CC=C(C)CCCCC(O)[Si](C)(C)C.
What is the InChIKey of 6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol?
The InChIKey is DQQXKLQZLSWJNX-ZXABPTRBSA-N. The full InChI is InChI=1S/C25H48OSi/c1-6-7-8-9-10-11-16-23-17-14-18-24(23)21-20-22(2)15-12-13-19-25(26)27(3,4)5/h11,16,20,23-26H,6-10,12-15,17-19,21H2,1-5H3/t23-,24+,25?/m0/s1.
What are the key properties of 6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol?
6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol has a molecular weight of 392.74 g/mol, XLogP of 8.06, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-trimethylsilyloct-6-en-1-ol is sourced from PubChem (CID 56991741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).