(6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol

C21H38O2Si — CID 15237476

IUPAC(6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
SMILESC#CC(C)(O)CC/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O2Si/c1-10-21(7,22)16-12-15-18(2)13-11-14-19(3)17-23-24(8,9)20(4,5)6/h1,14-15,22H,11-13,16-17H2,2-9H3/b18-15+,19-14+
InChIKeyKZZMBKJUJKRXQW-HTGWJEPXSA-N
MW350.62 g/mol
LogP5.85
Rot. Bonds9

About (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol

(6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol (PubChem CID 15237476) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol.

Molecular Properties

Compound Name(6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
PubChem CID15237476
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name(6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
SMILESC#CC(C)(O)CC/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O2Si/c1-10-21(7,22)16-12-15-18(2)13-11-14-19(3)17-23-24(8,9)20(4,5)6/h1,14-15,22H,11-13,16-17H2,2-9H3/b18-15+,19-14+
InChIKeyKZZMBKJUJKRXQW-HTGWJEPXSA-N
XLogP5.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 55.85
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol?
The IUPAC name of (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol (CID 15237476) is (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol.
What is the SMILES notation for (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol?
The canonical SMILES for (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol is C#CC(C)(O)CC/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol?
The InChIKey is KZZMBKJUJKRXQW-HTGWJEPXSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-10-21(7,22)16-12-15-18(2)13-11-14-19(3)17-23-24(8,9)20(4,5)6/h1,14-15,22H,11-13,16-17H2,2-9H3/b18-15+,19-14+.
What are the key properties of (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol?
(6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol has a molecular weight of 350.62 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol is sourced from PubChem (CID 15237476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).