1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol

C25H52O3Si — CID 10071268

IUPAC1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol
SMILESCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C1OC1C(O)CCCC(C)C
InChIInChI=1S/C25H52O3Si/c1-9-10-11-12-13-14-15-19-22(28-29(7,8)25(4,5)6)24-23(27-24)21(26)18-16-17-20(2)3/h20-24,26H,9-19H2,1-8H3
InChIKeyPZMOKAOXCVKMOE-UHFFFAOYSA-N
MW428.77 g/mol
LogP7.47
Rot. Bonds16

About 1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol

1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol (PubChem CID 10071268) has the molecular formula C25H52O3Si and a molecular weight of 428.77 g/mol. Its IUPAC name is 1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol
PubChem CID10071268
Molecular FormulaC25H52O3Si
Molecular Weight428.77 g/mol
Exact Mass428.37
IUPAC Name1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol
SMILESCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C1OC1C(O)CCCC(C)C
InChIInChI=1S/C25H52O3Si/c1-9-10-11-12-13-14-15-19-22(28-29(7,8)25(4,5)6)24-23(27-24)21(26)18-16-17-20(2)3/h20-24,26H,9-19H2,1-8H3
InChIKeyPZMOKAOXCVKMOE-UHFFFAOYSA-N
XLogP7.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.77
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxybutan-2-ol
CID 11362793
[(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol
CID 11652161
[(2R,3R)-3-[(2R)-2-methyl-2-tri(propan-2-yl)silyloxypentyl]oxiran-2-yl]methanol
CID 11688526
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol
CID 12020419
(3S)-3-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]butane-1,2-diol
CID 16680393
[(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol
CID 46933875
1-(3-Decyloxiran-2-yl)-2-methylpropan-1-ol
CID 72780494
1-[(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]decan-1-ol
CID 134864030
1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol
CID 134900999
2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol
CID 134901008
2,2-dimethyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol
CID 134901058
1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol
CID 134901126

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol?
The IUPAC name of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol (CID 10071268) is 1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol.
What is the SMILES notation for 1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol?
The canonical SMILES for 1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol is CCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C1OC1C(O)CCCC(C)C.
What is the InChIKey of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol?
The InChIKey is PZMOKAOXCVKMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O3Si/c1-9-10-11-12-13-14-15-19-22(28-29(7,8)25(4,5)6)24-23(27-24)21(26)18-16-17-20(2)3/h20-24,26H,9-19H2,1-8H3.
What are the key properties of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol?
1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol has a molecular weight of 428.77 g/mol, XLogP of 7.47, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[tert-butyl(dimethyl)silyl]oxydecyl]oxiran-2-yl]-5-methylhexan-1-ol is sourced from PubChem (CID 10071268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).