(4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one

C15H24O — CID 58017756

IUPAC(4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one
SMILESCC(C)C/C=C/C=C/C=C/C(=O)C(C)(C)C
InChIInChI=1S/C15H24O/c1-13(2)11-9-7-6-8-10-12-14(16)15(3,4)5/h6-10,12-13H,11H2,1-5H3/b8-6+,9-7+,12-10+
InChIKeyWSPMRFZDKMVYOW-CAPISXRISA-N
MW220.36 g/mol
LogP4.32
Rot. Bonds5

About (4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one

(4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one (PubChem CID 58017756) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one.

Molecular Properties

Compound Name(4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one
PubChem CID58017756
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one
SMILESCC(C)C/C=C/C=C/C=C/C(=O)C(C)(C)C
InChIInChI=1S/C15H24O/c1-13(2)11-9-7-6-8-10-12-14(16)15(3,4)5/h6-10,12-13H,11H2,1-5H3/b8-6+,9-7+,12-10+
InChIKeyWSPMRFZDKMVYOW-CAPISXRISA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.32
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'}

Analyze (4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one with MolForge

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Related Compounds

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CID 88588845
2,2-dimethyldodeca-4,6,10-trien-3-one
CID 149435269
[(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate
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(E)-6-methylhept-3-en-2-one
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(E)-2,2-dimethylhept-4-en-3-one
CID 12757137
tert-butyl (E)-5-methylhex-2-enoate
CID 11446750
(E)-6-hydroxy-2,2-dimethylhept-4-en-3-one
CID 130038234
(E,6S)-6-hydroxy-2,2-dimethylhept-4-en-3-one
CID 10702067
8,8,9-trimethyldeca-3,5-diene-2,7-dione
CID 540322
(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene
CID 58373550
(Z)-2,2-dimethyloct-4-en-3-one
CID 131248601

Frequently Asked Questions

What is the IUPAC name of (4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one?
The IUPAC name of (4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one (CID 58017756) is (4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one.
What is the SMILES notation for (4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one?
The canonical SMILES for (4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one is CC(C)C/C=C/C=C/C=C/C(=O)C(C)(C)C.
What is the InChIKey of (4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one?
The InChIKey is WSPMRFZDKMVYOW-CAPISXRISA-N. The full InChI is InChI=1S/C15H24O/c1-13(2)11-9-7-6-8-10-12-14(16)15(3,4)5/h6-10,12-13H,11H2,1-5H3/b8-6+,9-7+,12-10+.
What are the key properties of (4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one?
(4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one has a molecular weight of 220.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one is sourced from PubChem (CID 58017756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).