2-dec-9-enyloxirane

C12H22O — CID 22648516

IUPAC2-dec-9-enyloxirane
SMILESC=CCCCCCCCCC1CO1
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h2,12H,1,3-11H2
InChIKeyVXVPNDUVNSCPBA-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds9

About 2-dec-9-enyloxirane

2-dec-9-enyloxirane (PubChem CID 22648516) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-dec-9-enyloxirane.

Molecular Properties

Compound Name2-dec-9-enyloxirane
PubChem CID22648516
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-dec-9-enyloxirane
SMILESC=CCCCCCCCCC1CO1
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h2,12H,1,3-11H2
InChIKeyVXVPNDUVNSCPBA-UHFFFAOYSA-N
XLogP3.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-dec-9-enyloxirane?
The IUPAC name of 2-dec-9-enyloxirane (CID 22648516) is 2-dec-9-enyloxirane.
What is the SMILES notation for 2-dec-9-enyloxirane?
The canonical SMILES for 2-dec-9-enyloxirane is C=CCCCCCCCCC1CO1.
What is the InChIKey of 2-dec-9-enyloxirane?
The InChIKey is VXVPNDUVNSCPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h2,12H,1,3-11H2.
What are the key properties of 2-dec-9-enyloxirane?
2-dec-9-enyloxirane has a molecular weight of 182.31 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-enyloxirane is sourced from PubChem (CID 22648516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).