(5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one

C15H22O — CID 89267675

IUPAC(5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one
SMILESC/C=C\C=C(/CC)C(=O)CC(C)=C1CCC1
InChIInChI=1S/C15H22O/c1-4-6-8-13(5-2)15(16)11-12(3)14-9-7-10-14/h4,6,8H,5,7,9-11H2,1-3H3/b6-4-,13-8+
InChIKeyYPFURTZAIJIUCM-RUMQPUKBSA-N
MW218.34 g/mol
LogP4.36
Rot. Bonds5

About (5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one

(5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one (PubChem CID 89267675) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one.

Molecular Properties

Compound Name(5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one
PubChem CID89267675
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one
SMILESC/C=C\C=C(/CC)C(=O)CC(C)=C1CCC1
InChIInChI=1S/C15H22O/c1-4-6-8-13(5-2)15(16)11-12(3)14-9-7-10-14/h4,6,8H,5,7,9-11H2,1-3H3/b6-4-,13-8+
InChIKeyYPFURTZAIJIUCM-RUMQPUKBSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one?
The IUPAC name of (5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one (CID 89267675) is (5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one.
What is the SMILES notation for (5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one?
The canonical SMILES for (5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one is C/C=C\C=C(/CC)C(=O)CC(C)=C1CCC1.
What is the InChIKey of (5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one?
The InChIKey is YPFURTZAIJIUCM-RUMQPUKBSA-N. The full InChI is InChI=1S/C15H22O/c1-4-6-8-13(5-2)15(16)11-12(3)14-9-7-10-14/h4,6,8H,5,7,9-11H2,1-3H3/b6-4-,13-8+.
What are the key properties of (5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one?
(5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one has a molecular weight of 218.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one is sourced from PubChem (CID 89267675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).