(5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one

C10H13ClO — CID 15455933

IUPAC(5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one
SMILESCCCC(=O)/C=C/C=C/C=C/Cl
InChIInChI=1S/C10H13ClO/c1-2-7-10(12)8-5-3-4-6-9-11/h3-6,8-9H,2,7H2,1H3/b4-3+,8-5+,9-6+
InChIKeyYHCQSWDJDCQMIV-RNGLNSBOSA-N
MW184.67 g/mol
LogP3.22
Rot. Bonds5

About (5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one

(5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one (PubChem CID 15455933) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is (5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one.

Molecular Properties

Compound Name(5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one
PubChem CID15455933
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name(5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one
SMILESCCCC(=O)/C=C/C=C/C=C/Cl
InChIInChI=1S/C10H13ClO/c1-2-7-10(12)8-5-3-4-6-9-11/h3-6,8-9H,2,7H2,1H3/b4-3+,8-5+,9-6+
InChIKeyYHCQSWDJDCQMIV-RNGLNSBOSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 4-oxohept-2-enoate
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Frequently Asked Questions

What is the IUPAC name of (5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one?
The IUPAC name of (5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one (CID 15455933) is (5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one.
What is the SMILES notation for (5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one?
The canonical SMILES for (5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one is CCCC(=O)/C=C/C=C/C=C/Cl.
What is the InChIKey of (5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one?
The InChIKey is YHCQSWDJDCQMIV-RNGLNSBOSA-N. The full InChI is InChI=1S/C10H13ClO/c1-2-7-10(12)8-5-3-4-6-9-11/h3-6,8-9H,2,7H2,1H3/b4-3+,8-5+,9-6+.
What are the key properties of (5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one?
(5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one has a molecular weight of 184.67 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one is sourced from PubChem (CID 15455933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).