(2S,3R)-2-decyl-3-hexyloxirane

C18H36O — CID 22878724

IUPAC(2S,3R)-2-decyl-3-hexyloxirane
SMILESCCCCCCCCCC[C@@H]1O[C@@H]1CCCCCC
InChIInChI=1S/C18H36O/c1-3-5-7-9-10-11-12-14-16-18-17(19-18)15-13-8-6-4-2/h17-18H,3-16H2,1-2H3/t17-,18+/m1/s1
InChIKeyABMJUFOPOPEJRG-MSOLQXFVSA-N
MW268.48 g/mol
LogP6.26
Rot. Bonds14

About (2S,3R)-2-decyl-3-hexyloxirane

(2S,3R)-2-decyl-3-hexyloxirane (PubChem CID 22878724) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is (2S,3R)-2-decyl-3-hexyloxirane.

Molecular Properties

Compound Name(2S,3R)-2-decyl-3-hexyloxirane
PubChem CID22878724
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name(2S,3R)-2-decyl-3-hexyloxirane
SMILESCCCCCCCCCC[C@@H]1O[C@@H]1CCCCCC
InChIInChI=1S/C18H36O/c1-3-5-7-9-10-11-12-14-16-18-17(19-18)15-13-8-6-4-2/h17-18H,3-16H2,1-2H3/t17-,18+/m1/s1
InChIKeyABMJUFOPOPEJRG-MSOLQXFVSA-N
XLogP6.26
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-decyl-3-hexyloxirane?
The IUPAC name of (2S,3R)-2-decyl-3-hexyloxirane (CID 22878724) is (2S,3R)-2-decyl-3-hexyloxirane.
What is the SMILES notation for (2S,3R)-2-decyl-3-hexyloxirane?
The canonical SMILES for (2S,3R)-2-decyl-3-hexyloxirane is CCCCCCCCCC[C@@H]1O[C@@H]1CCCCCC.
What is the InChIKey of (2S,3R)-2-decyl-3-hexyloxirane?
The InChIKey is ABMJUFOPOPEJRG-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H36O/c1-3-5-7-9-10-11-12-14-16-18-17(19-18)15-13-8-6-4-2/h17-18H,3-16H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-2-decyl-3-hexyloxirane?
(2S,3R)-2-decyl-3-hexyloxirane has a molecular weight of 268.48 g/mol, XLogP of 6.26, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-decyl-3-hexyloxirane is sourced from PubChem (CID 22878724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).