(4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol

C20H36OSi — CID 15721121

IUPAC(4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol
SMILESCC#C[C@](C)([C@H](O)C=C=C(CCCC)CCCC)[Si](C)(C)C
InChIInChI=1S/C20H36OSi/c1-8-11-13-18(14-12-9-2)15-16-19(21)20(4,17-10-3)22(5,6)7/h16,19,21H,8-9,11-14H2,1-7H3/t19-,20-/m1/s1
InChIKeyLNVSGNJZIIQLKX-WOJBJXKFSA-N
MW320.59 g/mol
LogP5.93
Rot. Bonds9

About (4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol

(4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol (PubChem CID 15721121) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is (4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol.

Molecular Properties

Compound Name(4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol
PubChem CID15721121
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Name(4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol
SMILESCC#C[C@](C)([C@H](O)C=C=C(CCCC)CCCC)[Si](C)(C)C
InChIInChI=1S/C20H36OSi/c1-8-11-13-18(14-12-9-2)15-16-19(21)20(4,17-10-3)22(5,6)7/h16,19,21H,8-9,11-14H2,1-7H3/t19-,20-/m1/s1
InChIKeyLNVSGNJZIIQLKX-WOJBJXKFSA-N
XLogP5.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol with MolForge

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Launch Full Analysis

Related Compounds

(5R,6R)-2,6-dimethyl-6-trimethylsilylnona-2,3-dien-7-yn-5-ol
CID 15721119
6-Methylidene-10-trimethylsilyldec-1-en-9-yn-5-ol
CID 139252751
(5R,6R)-2-methyl-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol
CID 10427633
(3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol
CID 10573421
(3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol
CID 10639611
(6E,10E)-2,6,10-trimethyl-16-trimethylsilylhexadeca-1,6,10-trien-14-yn-3-ol
CID 10688961
(6E)-2,6-dimethyl-13-trimethylsilyltrideca-1,6-dien-11-yn-3-ol
CID 11044553

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol?
The IUPAC name of (4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol (CID 15721121) is (4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol.
What is the SMILES notation for (4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol?
The canonical SMILES for (4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol is CC#C[C@](C)([C@H](O)C=C=C(CCCC)CCCC)[Si](C)(C)C.
What is the InChIKey of (4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol?
The InChIKey is LNVSGNJZIIQLKX-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H36OSi/c1-8-11-13-18(14-12-9-2)15-16-19(21)20(4,17-10-3)22(5,6)7/h16,19,21H,8-9,11-14H2,1-7H3/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol?
(4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol has a molecular weight of 320.59 g/mol, XLogP of 5.93, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol is sourced from PubChem (CID 15721121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).