2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol

C17H36O2Si — CID 134901008

IUPAC2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol
SMILESCCCCCCCC[C@@H]1O[C@]1(C(O)C(C)C)[Si](C)(C)C
InChIInChI=1S/C17H36O2Si/c1-7-8-9-10-11-12-13-15-17(19-15,20(4,5)6)16(18)14(2)3/h14-16,18H,7-13H2,1-6H3/t15-,16?,17-/m0/s1
InChIKeyBTEOWAAWLGXACX-QRFGZVGRSA-N
MW300.56 g/mol
LogP4.77
Rot. Bonds10

About 2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol

2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol (PubChem CID 134901008) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol
PubChem CID134901008
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol
SMILESCCCCCCCC[C@@H]1O[C@]1(C(O)C(C)C)[Si](C)(C)C
InChIInChI=1S/C17H36O2Si/c1-7-8-9-10-11-12-13-15-17(19-15,20(4,5)6)16(18)14(2)3/h14-16,18H,7-13H2,1-6H3/t15-,16?,17-/m0/s1
InChIKeyBTEOWAAWLGXACX-QRFGZVGRSA-N
XLogP4.77
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.77
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 9862975
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[3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol
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CID 17839558
(-)-(2S,3R)-2,3-epoxy-8-methyl-1-nonanol
CID 14102158
[(2R,3S)-3-(5-methylhexyl)oxiran-2-yl]methanol
CID 14102159
(2R,3R,7R,11R)-2,3-epoxy-3,7,11,15-tetramethylhexadecanol
CID 15917605
3-(14-Methylpentadecoxy)propane-1,2-diol
CID 86006798
(2S)-3-(15-methylhexadecoxy)-2-octoxypropan-1-ol
CID 447796

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol (CID 134901008) is 2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol is CCCCCCCC[C@@H]1O[C@]1(C(O)C(C)C)[Si](C)(C)C.
What is the InChIKey of 2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol?
The InChIKey is BTEOWAAWLGXACX-QRFGZVGRSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-7-8-9-10-11-12-13-15-17(19-15,20(4,5)6)16(18)14(2)3/h14-16,18H,7-13H2,1-6H3/t15-,16?,17-/m0/s1.
What are the key properties of 2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol?
2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol has a molecular weight of 300.56 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]propan-1-ol is sourced from PubChem (CID 134901008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).