(7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one

C17H30O2 — CID 87224940

IUPAC(7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one
SMILESCCC1CCCCCCC/C=C\CCCCC(=O)O1
InChIInChI=1S/C17H30O2/c1-2-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19-16/h5,7,16H,2-4,6,8-15H2,1H3/b7-5-
InChIKeyZNEUSNOKBFZFHR-ALCCZGGFSA-N
MW266.42 g/mol
LogP5.17
Rot. Bonds1

About (7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one

(7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one (PubChem CID 87224940) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one.

Molecular Properties

Compound Name(7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one
PubChem CID87224940
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one
SMILESCCC1CCCCCCC/C=C\CCCCC(=O)O1
InChIInChI=1S/C17H30O2/c1-2-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19-16/h5,7,16H,2-4,6,8-15H2,1H3/b7-5-
InChIKeyZNEUSNOKBFZFHR-ALCCZGGFSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one?
The IUPAC name of (7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one (CID 87224940) is (7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one.
What is the SMILES notation for (7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one?
The canonical SMILES for (7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one is CCC1CCCCCCC/C=C\CCCCC(=O)O1.
What is the InChIKey of (7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one?
The InChIKey is ZNEUSNOKBFZFHR-ALCCZGGFSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19-16/h5,7,16H,2-4,6,8-15H2,1H3/b7-5-.
What are the key properties of (7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one?
(7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one has a molecular weight of 266.42 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one is sourced from PubChem (CID 87224940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).