11-chloro-6,10-dimethylundeca-5,9-dien-2-one

C13H21ClO — CID 173363850

IUPAC11-chloro-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CCC=C(C)CCC=C(C)CCl
InChIInChI=1S/C13H21ClO/c1-11(7-5-9-13(3)15)6-4-8-12(2)10-14/h7-8H,4-6,9-10H2,1-3H3
InChIKeyJVEUCEKWRNCGFM-UHFFFAOYSA-N
MW228.76 g/mol
LogP4.27
Rot. Bonds7

About 11-chloro-6,10-dimethylundeca-5,9-dien-2-one

11-chloro-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 173363850) has the molecular formula C13H21ClO and a molecular weight of 228.76 g/mol. Its IUPAC name is 11-chloro-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name11-chloro-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID173363850
Molecular FormulaC13H21ClO
Molecular Weight228.76 g/mol
Exact Mass228.13
IUPAC Name11-chloro-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CCC=C(C)CCC=C(C)CCl
InChIInChI=1S/C13H21ClO/c1-11(7-5-9-13(3)15)6-4-8-12(2)10-14/h7-8H,4-6,9-10H2,1-3H3
InChIKeyJVEUCEKWRNCGFM-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.76
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene
CID 13409854
[(2E,6E)-8-chloro-3,7-dimethylocta-2,6-dienyl] acetate
CID 10878979
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
CID 15069733
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
3-methyl-7-oxooct-3-enal
CID 91303199
(2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid
CID 16655283
3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796
(5E,10E)-6-methyldodeca-5,10-dien-2-one
CID 21432644

Frequently Asked Questions

What is the IUPAC name of 11-chloro-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of 11-chloro-6,10-dimethylundeca-5,9-dien-2-one (CID 173363850) is 11-chloro-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for 11-chloro-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for 11-chloro-6,10-dimethylundeca-5,9-dien-2-one is CC(=O)CCC=C(C)CCC=C(C)CCl.
What is the InChIKey of 11-chloro-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is JVEUCEKWRNCGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClO/c1-11(7-5-9-13(3)15)6-4-8-12(2)10-14/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of 11-chloro-6,10-dimethylundeca-5,9-dien-2-one?
11-chloro-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 228.76 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 173363850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).