2-dodecyloxirane

C14H28O — CID 18604

IUPAC2-dodecyloxirane
SMILESCCCCCCCCCCCCC1CO1
InChIInChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3
InChIKeyIOHJQSFEAYDZGF-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.70
Rot. Bonds11

About 2-dodecyloxirane

2-dodecyloxirane (PubChem CID 18604) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-dodecyloxirane.

Molecular Properties

Compound Name2-dodecyloxirane
PubChem CID18604
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2-dodecyloxirane
SMILESCCCCCCCCCCCCC1CO1
InChIInChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3
InChIKeyIOHJQSFEAYDZGF-UHFFFAOYSA-N
XLogP4.70
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.70
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-dodecyloxirane?
The IUPAC name of 2-dodecyloxirane (CID 18604) is 2-dodecyloxirane.
What is the SMILES notation for 2-dodecyloxirane?
The canonical SMILES for 2-dodecyloxirane is CCCCCCCCCCCCC1CO1.
What is the InChIKey of 2-dodecyloxirane?
The InChIKey is IOHJQSFEAYDZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3.
What are the key properties of 2-dodecyloxirane?
2-dodecyloxirane has a molecular weight of 212.38 g/mol, XLogP of 4.70, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyloxirane is sourced from PubChem (CID 18604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).