[(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol

C16H34O2Si — CID 11652161

IUPAC[(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol
SMILESCCCCCCC[C@]1([Si](CC)(CC)CC)O[C@H]1CO
InChIInChI=1S/C16H34O2Si/c1-5-9-10-11-12-13-16(15(14-17)18-16)19(6-2,7-3)8-4/h15,17H,5-14H2,1-4H3/t15-,16+/m0/s1
InChIKeyPXJYEXGASFKDFC-JKSUJKDBSA-N
MW286.53 g/mol
LogP4.52
Rot. Bonds11

About [(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol

[(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol (PubChem CID 11652161) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is [(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol
PubChem CID11652161
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name[(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol
SMILESCCCCCCC[C@]1([Si](CC)(CC)CC)O[C@H]1CO
InChIInChI=1S/C16H34O2Si/c1-5-9-10-11-12-13-16(15(14-17)18-16)19(6-2,7-3)8-4/h15,17H,5-14H2,1-4H3/t15-,16+/m0/s1
InChIKeyPXJYEXGASFKDFC-JKSUJKDBSA-N
XLogP4.52
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.52
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,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
[(2R,3R)-3-tetradecyloxiran-2-yl]methanol
CID 46831325

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol (CID 11652161) is [(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol is CCCCCCC[C@]1([Si](CC)(CC)CC)O[C@H]1CO.
What is the InChIKey of [(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol?
The InChIKey is PXJYEXGASFKDFC-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-5-9-10-11-12-13-16(15(14-17)18-16)19(6-2,7-3)8-4/h15,17H,5-14H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of [(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol?
[(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol has a molecular weight of 286.53 g/mol, XLogP of 4.52, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-heptyl-3-triethylsilyloxiran-2-yl]methanol is sourced from PubChem (CID 11652161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).