7-prop-2-enyl-oxacyclohexadecane-2,6-dione

C18H30O3 — CID 24974078

IUPAC7-prop-2-enyl-oxacyclohexadecane-2,6-dione
SMILESC=CCC1CCCCCCCCCOC(=O)CCCC1=O
InChIInChI=1S/C18H30O3/c1-2-11-16-12-8-6-4-3-5-7-9-15-21-18(20)14-10-13-17(16)19/h2,16H,1,3-15H2
InChIKeyNFBKQDBGVJONCZ-UHFFFAOYSA-N
MW294.43 g/mol
LogP4.60
Rot. Bonds2

About 7-prop-2-enyl-oxacyclohexadecane-2,6-dione

7-prop-2-enyl-oxacyclohexadecane-2,6-dione (PubChem CID 24974078) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 7-prop-2-enyl-oxacyclohexadecane-2,6-dione.

Molecular Properties

Compound Name7-prop-2-enyl-oxacyclohexadecane-2,6-dione
PubChem CID24974078
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name7-prop-2-enyl-oxacyclohexadecane-2,6-dione
SMILESC=CCC1CCCCCCCCCOC(=O)CCCC1=O
InChIInChI=1S/C18H30O3/c1-2-11-16-12-8-6-4-3-5-7-9-15-21-18(20)14-10-13-17(16)19/h2,16H,1,3-15H2
InChIKeyNFBKQDBGVJONCZ-UHFFFAOYSA-N
XLogP4.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-prop-2-enyl-oxacyclohexadecane-2,6-dione?
The IUPAC name of 7-prop-2-enyl-oxacyclohexadecane-2,6-dione (CID 24974078) is 7-prop-2-enyl-oxacyclohexadecane-2,6-dione.
What is the SMILES notation for 7-prop-2-enyl-oxacyclohexadecane-2,6-dione?
The canonical SMILES for 7-prop-2-enyl-oxacyclohexadecane-2,6-dione is C=CCC1CCCCCCCCCOC(=O)CCCC1=O.
What is the InChIKey of 7-prop-2-enyl-oxacyclohexadecane-2,6-dione?
The InChIKey is NFBKQDBGVJONCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-2-11-16-12-8-6-4-3-5-7-9-15-21-18(20)14-10-13-17(16)19/h2,16H,1,3-15H2.
What are the key properties of 7-prop-2-enyl-oxacyclohexadecane-2,6-dione?
7-prop-2-enyl-oxacyclohexadecane-2,6-dione has a molecular weight of 294.43 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enyl-oxacyclohexadecane-2,6-dione is sourced from PubChem (CID 24974078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).