(5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one

C11H15ClO — CID 156886752

IUPAC(5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one
SMILESC=C(Cl)/C=C\C(=C/C)CCC(C)=O
InChIInChI=1S/C11H15ClO/c1-4-11(7-5-9(2)12)8-6-10(3)13/h4-5,7H,2,6,8H2,1,3H3/b7-5-,11-4+
InChIKeyDRSHSGBDPWXASP-WZXAJVQYSA-N
MW198.69 g/mol
LogP3.61
Rot. Bonds5

About (5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one

(5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one (PubChem CID 156886752) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is (5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one.

Molecular Properties

Compound Name(5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one
PubChem CID156886752
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name(5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one
SMILESC=C(Cl)/C=C\C(=C/C)CCC(C)=O
InChIInChI=1S/C11H15ClO/c1-4-11(7-5-9(2)12)8-6-10(3)13/h4-5,7H,2,6,8H2,1,3H3/b7-5-,11-4+
InChIKeyDRSHSGBDPWXASP-WZXAJVQYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide
CID 156886780
(5Z,6Z)-8-chloro-5-ethylidene-7-methylnona-6,8-dien-2-one
CID 156886732
hexane-2,5-dione
CID 8035
2-chloro-5-methylhepta-1,3,5-triene
CID 123971323
2-chloropenta-1,3-diene;pent-3-en-2-one
CID 163430879
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242
1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea
CID 156824725
(E)-8-hydroxy-5-methylideneoct-6-en-2-one
CID 15853373
(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene
CID 142010066
methane;(E)-oct-6-ene-2,5-dione
CID 159043306
N-(2-chloroprop-2-enyl)-4-oxopentanamide
CID 115640756
CID 59102011
CID 59102011

Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one?
The IUPAC name of (5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one (CID 156886752) is (5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one.
What is the SMILES notation for (5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one?
The canonical SMILES for (5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one is C=C(Cl)/C=C\C(=C/C)CCC(C)=O.
What is the InChIKey of (5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one?
The InChIKey is DRSHSGBDPWXASP-WZXAJVQYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-4-11(7-5-9(2)12)8-6-10(3)13/h4-5,7H,2,6,8H2,1,3H3/b7-5-,11-4+.
What are the key properties of (5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one?
(5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one has a molecular weight of 198.69 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one is sourced from PubChem (CID 156886752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).