(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol

C20H36O2Si — CID 11359645

IUPAC(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol
SMILESC#CCCC/C=C(\C)CCC(O)C(=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-9-10-11-12-13-17(2)14-15-19(21)18(3)16-22-23(7,8)20(4,5)6/h1,13,19,21H,3,10-12,14-16H2,2,4-8H3/b17-13+
InChIKeyKUIQBNQLRCDCJG-GHRIWEEISA-N
MW336.59 g/mol
LogP5.46
Rot. Bonds10

About (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol

(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol (PubChem CID 11359645) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol.

Molecular Properties

Compound Name(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol
PubChem CID11359645
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol
SMILESC#CCCC/C=C(\C)CCC(O)C(=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-9-10-11-12-13-17(2)14-15-19(21)18(3)16-22-23(7,8)20(4,5)6/h1,13,19,21H,3,10-12,14-16H2,2,4-8H3/b17-13+
InChIKeyKUIQBNQLRCDCJG-GHRIWEEISA-N
XLogP5.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol?
The IUPAC name of (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol (CID 11359645) is (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol.
What is the SMILES notation for (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol?
The canonical SMILES for (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol is C#CCCC/C=C(\C)CCC(O)C(=C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol?
The InChIKey is KUIQBNQLRCDCJG-GHRIWEEISA-N. The full InChI is InChI=1S/C20H36O2Si/c1-9-10-11-12-13-17(2)14-15-19(21)18(3)16-22-23(7,8)20(4,5)6/h1,13,19,21H,3,10-12,14-16H2,2,4-8H3/b17-13+.
What are the key properties of (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol?
(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol has a molecular weight of 336.59 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol is sourced from PubChem (CID 11359645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).