(3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol

C19H38O2Si — CID 134931028

IUPAC(3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol
SMILESCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/CCC(C)C
InChIInChI=1S/C19H38O2Si/c1-9-10-15-18(21-22(7,8)19(4,5)6)17(20)14-12-11-13-16(2)3/h10,12,14-18,20H,9,11,13H2,1-8H3/b14-12+,15-10+/t17-,18-/m0/s1
InChIKeyVPWMLAZYAFOEIR-OHTHRQAUSA-N
MW326.60 g/mol
LogP5.70
Rot. Bonds9

About (3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol

(3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol (PubChem CID 134931028) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol.

Molecular Properties

Compound Name(3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol
PubChem CID134931028
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol
SMILESCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/CCC(C)C
InChIInChI=1S/C19H38O2Si/c1-9-10-15-18(21-22(7,8)19(4,5)6)17(20)14-12-11-13-16(2)3/h10,12,14-18,20H,9,11,13H2,1-8H3/b14-12+,15-10+/t17-,18-/m0/s1
InChIKeyVPWMLAZYAFOEIR-OHTHRQAUSA-N
XLogP5.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol?
The IUPAC name of (3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol (CID 134931028) is (3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol.
What is the SMILES notation for (3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol?
The canonical SMILES for (3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol is CC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/CCC(C)C.
What is the InChIKey of (3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol?
The InChIKey is VPWMLAZYAFOEIR-OHTHRQAUSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-9-10-15-18(21-22(7,8)19(4,5)6)17(20)14-12-11-13-16(2)3/h10,12,14-18,20H,9,11,13H2,1-8H3/b14-12+,15-10+/t17-,18-/m0/s1.
What are the key properties of (3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol?
(3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol has a molecular weight of 326.60 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5S,6S,7E)-5-[tert-butyl(dimethyl)silyl]oxy-11-methyldodeca-3,7-dien-6-ol is sourced from PubChem (CID 134931028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).