(4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol

C20H38OSi — CID 45259142

IUPAC(4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol
SMILESCCCC/C=C\[C@@H](C)/C=C/[C@@H](C)/C(=C/[Si](C)(C)C)CCCO
InChIInChI=1S/C20H38OSi/c1-7-8-9-10-12-18(2)14-15-19(3)20(13-11-16-21)17-22(4,5)6/h10,12,14-15,17-19,21H,7-9,11,13,16H2,1-6H3/b12-10-,15-14+,20-17+/t18-,19-/m1/s1
InChIKeyCIYQZJJYFKPPQH-AQXYXGOQSA-N
MW322.61 g/mol
LogP6.14
Rot. Bonds11

About (4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol

(4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol (PubChem CID 45259142) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is (4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol.

Molecular Properties

Compound Name(4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol
PubChem CID45259142
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name(4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol
SMILESCCCC/C=C\[C@@H](C)/C=C/[C@@H](C)/C(=C/[Si](C)(C)C)CCCO
InChIInChI=1S/C20H38OSi/c1-7-8-9-10-12-18(2)14-15-19(3)20(13-11-16-21)17-22(4,5)6/h10,12,14-15,17-19,21H,7-9,11,13,16H2,1-6H3/b12-10-,15-14+,20-17+/t18-,19-/m1/s1
InChIKeyCIYQZJJYFKPPQH-AQXYXGOQSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.14
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 (4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol with MolForge

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Related Compounds

[(1R,2R)-2-trimethylsilylcyclohex-3-en-1-yl]methanol
CID 10976178
(2-Trimethylsilylcyclohex-3-en-1-yl)methanol
CID 14961467
(4-Trimethylsilylcyclohex-2-en-1-yl)methanol
CID 14961483
[(1R,4R)-2-methyl-4-trimethylsilylcyclohex-2-en-1-yl]methanol
CID 14961487
2-(6-Trimethylsilylcyclohex-2-en-1-yl)ethanol
CID 73116563
2-{(1r,2r,6s)-6-[(t-Butyldimethylsiloxy)meth-yl]-5-methylcyclohex-3-en-1-yl}ethanol
CID 129758180
2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol
CID 134861774
tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane
CID 134963593
(6-Trimethylsilylcyclohex-2-en-1-yl)methanol
CID 134979926
[(1R,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol
CID 134991838
(5Z,8E,10Z,13E)-10-methyl-8-(trimethylsilylmethylidene)pentadeca-5,10,13-trien-1-ol
CID 135008828
(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-4-en-1-ol
CID 135044249

Frequently Asked Questions

What is the IUPAC name of (4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol?
The IUPAC name of (4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol (CID 45259142) is (4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol.
What is the SMILES notation for (4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol?
The canonical SMILES for (4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol is CCCC/C=C\[C@@H](C)/C=C/[C@@H](C)/C(=C/[Si](C)(C)C)CCCO.
What is the InChIKey of (4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol?
The InChIKey is CIYQZJJYFKPPQH-AQXYXGOQSA-N. The full InChI is InChI=1S/C20H38OSi/c1-7-8-9-10-12-18(2)14-15-19(3)20(13-11-16-21)17-22(4,5)6/h10,12,14-15,17-19,21H,7-9,11,13,16H2,1-6H3/b12-10-,15-14+,20-17+/t18-,19-/m1/s1.
What are the key properties of (4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol?
(4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol has a molecular weight of 322.61 g/mol, XLogP of 6.14, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5R,6E,8R,9Z)-5,8-dimethyl-4-(trimethylsilylmethylidene)tetradeca-6,9-dien-1-ol is sourced from PubChem (CID 45259142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).