(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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Related Compounds

2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
CID 11292059
(1S,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 12034957
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(1S,2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 11301047
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]propan-1-ol
CID 12132314
(E)-3-trimethylsilyldodec-2-ene-1,4-diol
CID 13382778
(E)-4-methyl-3-trimethylsilyldec-2-ene-1,4-diol
CID 13382779
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
3-[(1E,3E,5Z,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,4,4-trimethylcyclohex-2-en-1-ol
CID 15489656
(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol
CID 15543738
(E,4S)-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pent-2-en-1-ol
CID 16680394

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).