(5E,10E)-6-methyldodeca-5,10-dien-2-one

C13H22O — CID 21432644

IUPAC(5E,10E)-6-methyldodeca-5,10-dien-2-one
SMILESC/C=C/CCC/C(C)=C/CCC(C)=O
InChIInChI=1S/C13H22O/c1-4-5-6-7-9-12(2)10-8-11-13(3)14/h4-5,10H,6-9,11H2,1-3H3/b5-4+,12-10+
InChIKeyTYRBVDZJLWYHKG-JOKBTEAVSA-N
MW194.32 g/mol
LogP4.05
Rot. Bonds7

About (5E,10E)-6-methyldodeca-5,10-dien-2-one

(5E,10E)-6-methyldodeca-5,10-dien-2-one (PubChem CID 21432644) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (5E,10E)-6-methyldodeca-5,10-dien-2-one.

Molecular Properties

Compound Name(5E,10E)-6-methyldodeca-5,10-dien-2-one
PubChem CID21432644
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(5E,10E)-6-methyldodeca-5,10-dien-2-one
SMILESC/C=C/CCC/C(C)=C/CCC(C)=O
InChIInChI=1S/C13H22O/c1-4-5-6-7-9-12(2)10-8-11-13(3)14/h4-5,10H,6-9,11H2,1-3H3/b5-4+,12-10+
InChIKeyTYRBVDZJLWYHKG-JOKBTEAVSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
(2Z,6E,10E,14E,18E,22Z)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene
CID 102073218
(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one
CID 14537577
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
(E)-hept-5-enamide
CID 18415105
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
(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

Frequently Asked Questions

What is the IUPAC name of (5E,10E)-6-methyldodeca-5,10-dien-2-one?
The IUPAC name of (5E,10E)-6-methyldodeca-5,10-dien-2-one (CID 21432644) is (5E,10E)-6-methyldodeca-5,10-dien-2-one.
What is the SMILES notation for (5E,10E)-6-methyldodeca-5,10-dien-2-one?
The canonical SMILES for (5E,10E)-6-methyldodeca-5,10-dien-2-one is C/C=C/CCC/C(C)=C/CCC(C)=O.
What is the InChIKey of (5E,10E)-6-methyldodeca-5,10-dien-2-one?
The InChIKey is TYRBVDZJLWYHKG-JOKBTEAVSA-N. The full InChI is InChI=1S/C13H22O/c1-4-5-6-7-9-12(2)10-8-11-13(3)14/h4-5,10H,6-9,11H2,1-3H3/b5-4+,12-10+.
What are the key properties of (5E,10E)-6-methyldodeca-5,10-dien-2-one?
(5E,10E)-6-methyldodeca-5,10-dien-2-one has a molecular weight of 194.32 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,10E)-6-methyldodeca-5,10-dien-2-one is sourced from PubChem (CID 21432644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).