2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol

C17H30O2Si — CID 134980498

IUPAC2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol
SMILESCC(/C=C/C1(O)C(C)CCC[Si]1(C)C)=C\C=C\C(C)O
InChIInChI=1S/C17H30O2Si/c1-14(8-6-10-16(3)18)11-12-17(19)15(2)9-7-13-20(17,4)5/h6,8,10-12,15-16,18-19H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+
InChIKeyGUACYAQPBJIIML-LUXGDSJYSA-N
MW294.51 g/mol
LogP3.83
Rot. Bonds4

About 2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol

2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol (PubChem CID 134980498) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol.

Molecular Properties

Compound Name2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol
PubChem CID134980498
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol
SMILESCC(/C=C/C1(O)C(C)CCC[Si]1(C)C)=C\C=C\C(C)O
InChIInChI=1S/C17H30O2Si/c1-14(8-6-10-16(3)18)11-12-17(19)15(2)9-7-13-20(17,4)5/h6,8,10-12,15-16,18-19H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+
InChIKeyGUACYAQPBJIIML-LUXGDSJYSA-N
XLogP3.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-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

(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(1S,5R)-5-methyl-2-(1-trimethylsilylethenyl)cyclopent-2-en-1-ol
CID 72793131
(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol
CID 102289952
(4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol
CID 134856772
2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol
CID 134887457
(E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol
CID 134945879
(3E,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,3-dien-5-ol
CID 134979330
(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol
CID 134979331
(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trien-1-ol
CID 135013443
3-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-ol
CID 162411204
(1S)-3-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-ol
CID 162411683
(E)-1-(6-methylcyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 13212260

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol?
The IUPAC name of 2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol (CID 134980498) is 2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol.
What is the SMILES notation for 2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol?
The canonical SMILES for 2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol is CC(/C=C/C1(O)C(C)CCC[Si]1(C)C)=C\C=C\C(C)O.
What is the InChIKey of 2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol?
The InChIKey is GUACYAQPBJIIML-LUXGDSJYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-14(8-6-10-16(3)18)11-12-17(19)15(2)9-7-13-20(17,4)5/h6,8,10-12,15-16,18-19H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+.
What are the key properties of 2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol?
2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol has a molecular weight of 294.51 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E,5E)-7-hydroxy-3-methylocta-1,3,5-trienyl]-1,1,3-trimethylsilinan-2-ol is sourced from PubChem (CID 134980498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).