1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol

C17H36O2Si — CID 134901126

IUPAC1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol
SMILESCCCCCCCC[C@H]1O[C@]1(C(O)CCC)[Si](C)(C)C
InChIInChI=1S/C17H36O2Si/c1-6-8-9-10-11-12-14-16-17(19-16,20(3,4)5)15(18)13-7-2/h15-16,18H,6-14H2,1-5H3/t15?,16-,17-/m1/s1
InChIKeyLBIQFFZTJMEPGG-YJEKIOLLSA-N
MW300.56 g/mol
LogP4.91
Rot. Bonds11

About 1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol

1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol (PubChem CID 134901126) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol.

Molecular Properties

Compound Name1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol
PubChem CID134901126
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol
SMILESCCCCCCCC[C@H]1O[C@]1(C(O)CCC)[Si](C)(C)C
InChIInChI=1S/C17H36O2Si/c1-6-8-9-10-11-12-14-16-17(19-16,20(3,4)5)15(18)13-7-2/h15-16,18H,6-14H2,1-5H3/t15?,16-,17-/m1/s1
InChIKeyLBIQFFZTJMEPGG-YJEKIOLLSA-N
XLogP4.91
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.91
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

(2R,3R)-2,3-epoxyoctadecanol
CID 10902156
1-(3-Methyloxiran-2-yl)tridecan-1-ol
CID 134993285
1-(Oxiran-2-yl)tetradecan-1-ol
CID 10611121
(R)-1-((tert-Butyldimethylsilyl)oxy)-3-(octadecyloxy)propan-2-ol
CID 10790085
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxybutan-2-ol
CID 11362793
1-(3-Trimethylsilyloxiran-2-yl)hexan-1-ol
CID 14194983
(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hexan-1-ol
CID 14194986
[(2R,3S)-3-butyl-2-trimethylsilyloxiran-2-yl]methanol
CID 10932545
[(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol
CID 11652161
[(2S,3S)-3-pentyl-2-trimethylsilyloxiran-2-yl]methanol
CID 13694672
(1S)-1-[(2S,3S)-3-pentyl-2-trimethylsilyloxiran-2-yl]propan-1-ol
CID 13694684
1-Methoxy-1,1-bis(trimethylsilyl)undecan-3-ol
CID 14227093

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol?
The IUPAC name of 1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol (CID 134901126) is 1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol.
What is the SMILES notation for 1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol?
The canonical SMILES for 1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol is CCCCCCCC[C@H]1O[C@]1(C(O)CCC)[Si](C)(C)C.
What is the InChIKey of 1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol?
The InChIKey is LBIQFFZTJMEPGG-YJEKIOLLSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-6-8-9-10-11-12-14-16-17(19-16,20(3,4)5)15(18)13-7-2/h15-16,18H,6-14H2,1-5H3/t15?,16-,17-/m1/s1.
What are the key properties of 1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol?
1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol has a molecular weight of 300.56 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-octyl-2-trimethylsilyloxiran-2-yl]butan-1-ol is sourced from PubChem (CID 134901126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).