3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol

C18H34OSi — CID 135049604

IUPAC3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol
SMILESC=C(C(O)(CCC=C(C)C)C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-15(2)11-10-14-18(19,16(3)20(4,5)6)17-12-8-7-9-13-17/h11,17,19H,3,7-10,12-14H2,1-2,4-6H3
InChIKeyUMEBRKCLMRQHQB-UHFFFAOYSA-N
MW294.56 g/mol
LogP5.48
Rot. Bonds6

About 3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol

3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol (PubChem CID 135049604) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is 3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol.

Molecular Properties

Compound Name3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol
PubChem CID135049604
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol
SMILESC=C(C(O)(CCC=C(C)C)C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-15(2)11-10-14-18(19,16(3)20(4,5)6)17-12-8-7-9-13-17/h11,17,19H,3,7-10,12-14H2,1-2,4-6H3
InChIKeyUMEBRKCLMRQHQB-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.48
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol?
The IUPAC name of 3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol (CID 135049604) is 3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol.
What is the SMILES notation for 3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol?
The canonical SMILES for 3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol is C=C(C(O)(CCC=C(C)C)C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of 3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol?
The InChIKey is UMEBRKCLMRQHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-15(2)11-10-14-18(19,16(3)20(4,5)6)17-12-8-7-9-13-17/h11,17,19H,3,7-10,12-14H2,1-2,4-6H3.
What are the key properties of 3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol?
3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol has a molecular weight of 294.56 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol is sourced from PubChem (CID 135049604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).