2-octadecyloxolane

C22H44O — CID 10520053

IUPAC2-octadecyloxolane
SMILESCCCCCCCCCCCCCCCCCCC1CCCO1
InChIInChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23-22/h22H,2-21H2,1H3
InChIKeyVABFDSCPTCTDRR-UHFFFAOYSA-N
MW324.59 g/mol
LogP7.82
Rot. Bonds17

About 2-octadecyloxolane

2-octadecyloxolane (PubChem CID 10520053) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is 2-octadecyloxolane.

Molecular Properties

Compound Name2-octadecyloxolane
PubChem CID10520053
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name2-octadecyloxolane
SMILESCCCCCCCCCCCCCCCCCCC1CCCO1
InChIInChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23-22/h22H,2-21H2,1H3
InChIKeyVABFDSCPTCTDRR-UHFFFAOYSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-octadecyloxolane?
The IUPAC name of 2-octadecyloxolane (CID 10520053) is 2-octadecyloxolane.
What is the SMILES notation for 2-octadecyloxolane?
The canonical SMILES for 2-octadecyloxolane is CCCCCCCCCCCCCCCCCCC1CCCO1.
What is the InChIKey of 2-octadecyloxolane?
The InChIKey is VABFDSCPTCTDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23-22/h22H,2-21H2,1H3.
What are the key properties of 2-octadecyloxolane?
2-octadecyloxolane has a molecular weight of 324.59 g/mol, XLogP of 7.82, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadecyloxolane is sourced from PubChem (CID 10520053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).