(4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one

C14H24O — CID 89128729

IUPAC(4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one
SMILESCCCCC(C)/C=C(C)/C=C/C(=O)CC
InChIInChI=1S/C14H24O/c1-5-7-8-12(3)11-13(4)9-10-14(15)6-2/h9-12H,5-8H2,1-4H3/b10-9+,13-11+
InChIKeyPUUYRIDNRFLSOL-SNMPHBPQSA-N
MW208.34 g/mol
LogP4.29
Rot. Bonds7

About (4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one

(4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one (PubChem CID 89128729) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one.

Molecular Properties

Compound Name(4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one
PubChem CID89128729
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one
SMILESCCCCC(C)/C=C(C)/C=C/C(=O)CC
InChIInChI=1S/C14H24O/c1-5-7-8-12(3)11-13(4)9-10-14(15)6-2/h9-12H,5-8H2,1-4H3/b10-9+,13-11+
InChIKeyPUUYRIDNRFLSOL-SNMPHBPQSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.29
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

(2E,4E,6R)-2,4,6-trimethyldeca-2,4-dienamide
CID 162953444
(2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride
CID 10680899
(4E,6E)-2,2,4,6,8-pentamethyldodeca-4,6-dien-3-one
CID 58017793
4-methylnon-2-en-2-yl propanoate
CID 86616919
2,4-dimethyldec-2-ene
CID 522542
(E)-2-acetyl-4-methyltridec-2-enoic acid
CID 134540683
3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine
CID 163977699
methyl 2-(4,6-dimethyldodeca-2,4-dienoylamino)-3-(4-hydroxyphenyl)propanoate
CID 72772561
(3E)-2,5-dimethylnona-1,3-diene
CID 14899752
ethyl (E)-2,4-dimethylhenicos-2-enoate
CID 5369344
methyl (2E,4E,9E)-10-iodo-4,6,9-trimethyldeca-2,4,9-trienoate
CID 102081988
(7S,8E,11Z,13S)-7,9,11,13-tetramethyloctadeca-8,11-dienoic acid
CID 176732810

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one?
The IUPAC name of (4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one (CID 89128729) is (4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one.
What is the SMILES notation for (4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one?
The canonical SMILES for (4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one is CCCCC(C)/C=C(C)/C=C/C(=O)CC.
What is the InChIKey of (4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one?
The InChIKey is PUUYRIDNRFLSOL-SNMPHBPQSA-N. The full InChI is InChI=1S/C14H24O/c1-5-7-8-12(3)11-13(4)9-10-14(15)6-2/h9-12H,5-8H2,1-4H3/b10-9+,13-11+.
What are the key properties of (4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one?
(4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one has a molecular weight of 208.34 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one is sourced from PubChem (CID 89128729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).