3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane

C15H28OSi — CID 141368057

IUPAC3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane
SMILESCCCCCCC[C@@H]1O[C@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-5-6-7-8-9-11-14-15(16-14)12-10-13-17(2,3)4/h14-15H,5-9,11-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyNMCNKEXDYQRNOE-GJZGRUSLSA-N
MW252.47 g/mol
LogP4.39
Rot. Bonds7

About 3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane

3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane (PubChem CID 141368057) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane
PubChem CID141368057
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane
SMILESCCCCCCC[C@@H]1O[C@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-5-6-7-8-9-11-14-15(16-14)12-10-13-17(2,3)4/h14-15H,5-9,11-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyNMCNKEXDYQRNOE-GJZGRUSLSA-N
XLogP4.39
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3-Decyloxiran-2-yl)-trimethylsilane
CID 12007020
trimethyl-[(2R,3R)-3-pentyloxiran-2-yl]silane
CID 10012678
trimethyl-[2-[(2R,5S)-5-pentyloxolan-2-yl]ethynyl]silane
CID 10490147
trimethyl-[2-[(2R,6S)-6-pentyloxan-2-yl]ethynyl]silane
CID 10586947
trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane
CID 10611837
trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane
CID 10731481
Tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane
CID 10890092
(2-Hexyloxiran-2-yl)(trimethyl)silane
CID 12461212
(3-Hexyloxiran-2-yl)-trimethylsilane
CID 12498126
Trimethyl-(3-pentyl-2-propyloxiran-2-yl)silane
CID 12524690
Trimethyl-(2-pentyl-3-propyloxiran-2-yl)silane
CID 12524693
Trimethyl-(3-nonyloxiran-2-yl)silane
CID 12956573

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane (CID 141368057) is 3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane is CCCCCCC[C@@H]1O[C@H]1CC#C[Si](C)(C)C.
What is the InChIKey of 3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane?
The InChIKey is NMCNKEXDYQRNOE-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H28OSi/c1-5-6-7-8-9-11-14-15(16-14)12-10-13-17(2,3)4/h14-15H,5-9,11-12H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of 3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane?
3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 141368057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).