2-prop-2-enyl-oxacycloheptadecane

C19H36O — CID 14681329

IUPAC2-prop-2-enyl-oxacycloheptadecane
SMILESC=CCC1CCCCCCCCCCCCCCCO1
InChIInChI=1S/C19H36O/c1-2-16-19-17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20-19/h2,19H,1,3-18H2
InChIKeyXXPATQHRHMXUIZ-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.42
Rot. Bonds2

About 2-prop-2-enyl-oxacycloheptadecane

2-prop-2-enyl-oxacycloheptadecane (PubChem CID 14681329) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-prop-2-enyl-oxacycloheptadecane.

Molecular Properties

Compound Name2-prop-2-enyl-oxacycloheptadecane
PubChem CID14681329
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name2-prop-2-enyl-oxacycloheptadecane
SMILESC=CCC1CCCCCCCCCCCCCCCO1
InChIInChI=1S/C19H36O/c1-2-16-19-17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20-19/h2,19H,1,3-18H2
InChIKeyXXPATQHRHMXUIZ-UHFFFAOYSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-oxacycloheptadecane?
The IUPAC name of 2-prop-2-enyl-oxacycloheptadecane (CID 14681329) is 2-prop-2-enyl-oxacycloheptadecane.
What is the SMILES notation for 2-prop-2-enyl-oxacycloheptadecane?
The canonical SMILES for 2-prop-2-enyl-oxacycloheptadecane is C=CCC1CCCCCCCCCCCCCCCO1.
What is the InChIKey of 2-prop-2-enyl-oxacycloheptadecane?
The InChIKey is XXPATQHRHMXUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-2-16-19-17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20-19/h2,19H,1,3-18H2.
What are the key properties of 2-prop-2-enyl-oxacycloheptadecane?
2-prop-2-enyl-oxacycloheptadecane has a molecular weight of 280.50 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-oxacycloheptadecane is sourced from PubChem (CID 14681329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).