[(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane

C11H23ClOSi — CID 11128263

IUPAC[(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane
SMILESCCCCCC[C@@H]1O[C@]1(Cl)[Si](C)(C)C
InChIInChI=1S/C11H23ClOSi/c1-5-6-7-8-9-10-11(12,13-10)14(2,3)4/h10H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeySPVWSCQXQHMZGK-QWRGUYRKSA-N
MW234.84 g/mol
LogP4.17
Rot. Bonds6

About [(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane

[(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane (PubChem CID 11128263) has the molecular formula C11H23ClOSi and a molecular weight of 234.84 g/mol. Its IUPAC name is [(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane
PubChem CID11128263
Molecular FormulaC11H23ClOSi
Molecular Weight234.84 g/mol
Exact Mass234.12
IUPAC Name[(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane
SMILESCCCCCC[C@@H]1O[C@]1(Cl)[Si](C)(C)C
InChIInChI=1S/C11H23ClOSi/c1-5-6-7-8-9-10-11(12,13-10)14(2,3)4/h10H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeySPVWSCQXQHMZGK-QWRGUYRKSA-N
XLogP4.17
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.84
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-heptyl-2-methyloxiran-2-amine
CID 74220849
2,5-dioctyl-1,4-dioxaspiro[2.2]pentane
CID 22957637
3-hexadecyloxirane-2,2-diol
CID 18949694
2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
3-butyl-2-fluorooxiran-2-amine
CID 163216689
(3-hexyl-2-methyloxiran-2-yl)methanol
CID 86024137
3-octyloxirane-2,2-dicarbonitrile
CID 11241199
(4R,5S)-4-(chloromethyl)-5-dodecyl-2,2-dimethyl-1,3-dioxolane
CID 11782144
2-pentyl-1,4-dioxaspiro[2.2]pentane
CID 56981326
4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane
CID 91277761
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
2-hydroxy-3-nonyloxirane-2-carboxylic acid
CID 141294502

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane?
The IUPAC name of [(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane (CID 11128263) is [(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane.
What is the SMILES notation for [(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane?
The canonical SMILES for [(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane is CCCCCC[C@@H]1O[C@]1(Cl)[Si](C)(C)C.
What is the InChIKey of [(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane?
The InChIKey is SPVWSCQXQHMZGK-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23ClOSi/c1-5-6-7-8-9-10-11(12,13-10)14(2,3)4/h10H,5-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of [(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane?
[(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane has a molecular weight of 234.84 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane is sourced from PubChem (CID 11128263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).