2-decyloxirane

C12H24O — CID 17858

IUPAC2-decyloxirane
SMILESCCCCCCCCCCC1CO1
InChIInChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3
InChIKeyMPGABYXKKCLIRW-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.92
Rot. Bonds9

About 2-decyloxirane

2-decyloxirane (PubChem CID 17858) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-decyloxirane.

Molecular Properties

Compound Name2-decyloxirane
PubChem CID17858
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-decyloxirane
SMILESCCCCCCCCCCC1CO1
InChIInChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3
InChIKeyMPGABYXKKCLIRW-UHFFFAOYSA-N
XLogP3.92
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.92
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 2-decyloxirane?
The IUPAC name of 2-decyloxirane (CID 17858) is 2-decyloxirane.
What is the SMILES notation for 2-decyloxirane?
The canonical SMILES for 2-decyloxirane is CCCCCCCCCCC1CO1.
What is the InChIKey of 2-decyloxirane?
The InChIKey is MPGABYXKKCLIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3.
What are the key properties of 2-decyloxirane?
2-decyloxirane has a molecular weight of 184.32 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyloxirane is sourced from PubChem (CID 17858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).