2-heptadecyloxolane

C21H42O — CID 10566968

IUPAC2-heptadecyloxolane
SMILESCCCCCCCCCCCCCCCCCC1CCCO1
InChIInChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h21H,2-20H2,1H3
InChIKeyCNGVJXXKZPSHSV-UHFFFAOYSA-N
MW310.57 g/mol
LogP7.43
Rot. Bonds16

About 2-heptadecyloxolane

2-heptadecyloxolane (PubChem CID 10566968) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is 2-heptadecyloxolane.

Molecular Properties

Compound Name2-heptadecyloxolane
PubChem CID10566968
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name2-heptadecyloxolane
SMILESCCCCCCCCCCCCCCCCCC1CCCO1
InChIInChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h21H,2-20H2,1H3
InChIKeyCNGVJXXKZPSHSV-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.43
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-heptadecyloxolane?
The IUPAC name of 2-heptadecyloxolane (CID 10566968) is 2-heptadecyloxolane.
What is the SMILES notation for 2-heptadecyloxolane?
The canonical SMILES for 2-heptadecyloxolane is CCCCCCCCCCCCCCCCCC1CCCO1.
What is the InChIKey of 2-heptadecyloxolane?
The InChIKey is CNGVJXXKZPSHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h21H,2-20H2,1H3.
What are the key properties of 2-heptadecyloxolane?
2-heptadecyloxolane has a molecular weight of 310.57 g/mol, XLogP of 7.43, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecyloxolane is sourced from PubChem (CID 10566968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).