(Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol

C25H52O2Si — CID 10251138

IUPAC(Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol
SMILESCCCCCCCCCC(/C=C\C(O)CCCC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O2Si/c1-9-10-11-12-13-14-15-19-24(27-28(7,8)25(4,5)6)21-20-23(26)18-16-17-22(2)3/h20-24,26H,9-19H2,1-8H3/b21-20-
InChIKeyQEHFTUXBZWZQIF-MRCUWXFGSA-N
MW412.78 g/mol
LogP8.26
Rot. Bonds16

About (Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol

(Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol (PubChem CID 10251138) has the molecular formula C25H52O2Si and a molecular weight of 412.78 g/mol. Its IUPAC name is (Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol.

Molecular Properties

Compound Name(Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol
PubChem CID10251138
Molecular FormulaC25H52O2Si
Molecular Weight412.78 g/mol
Exact Mass412.37
IUPAC Name(Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol
SMILESCCCCCCCCCC(/C=C\C(O)CCCC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O2Si/c1-9-10-11-12-13-14-15-19-24(27-28(7,8)25(4,5)6)21-20-23(26)18-16-17-22(2)3/h20-24,26H,9-19H2,1-8H3/b21-20-
InChIKeyQEHFTUXBZWZQIF-MRCUWXFGSA-N
XLogP8.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 58.26
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol?
The IUPAC name of (Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol (CID 10251138) is (Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol.
What is the SMILES notation for (Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol?
The canonical SMILES for (Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol is CCCCCCCCCC(/C=C\C(O)CCCC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol?
The InChIKey is QEHFTUXBZWZQIF-MRCUWXFGSA-N. The full InChI is InChI=1S/C25H52O2Si/c1-9-10-11-12-13-14-15-19-24(27-28(7,8)25(4,5)6)21-20-23(26)18-16-17-22(2)3/h20-24,26H,9-19H2,1-8H3/b21-20-.
What are the key properties of (Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol?
(Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol has a molecular weight of 412.78 g/mol, XLogP of 8.26, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol is sourced from PubChem (CID 10251138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).