(4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one

C15H24O — CID 6450497

IUPAC(4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one
SMILESCCC(=O)/C(C)=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-6-15(16)14(5)11-10-13(4)9-7-8-12(2)3/h8,10-11H,6-7,9H2,1-5H3/b13-10+,14-11+
InChIKeyIOOAAQDGILGZAW-IFQMDVHZSA-N
MW220.36 g/mol
LogP4.60
Rot. Bonds6

About (4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one

(4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one (PubChem CID 6450497) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one.

Molecular Properties

Compound Name(4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one
PubChem CID6450497
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one
SMILESCCC(=O)/C(C)=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-6-15(16)14(5)11-10-13(4)9-7-8-12(2)3/h8,10-11H,6-7,9H2,1-5H3/b13-10+,14-11+
InChIKeyIOOAAQDGILGZAW-IFQMDVHZSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one with MolForge

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Related Compounds

(4Z)-2-ethyl-5,9-dimethyldeca-2,4,8-trienal
CID 165348110
2-ethyl-5,9-dimethyldeca-2,4,8-trienal
CID 3020531
3,7-dimethylocta-2,6-dienal
CID 8843
2-fluoro-5,9-dimethyldeca-2,4,8-triene
CID 73411750
(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene
CID 11148129
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
CID 175955047
CID 175955047
(9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one
CID 139632164
barium(2+);bis((2Z)-3,7-dimethylocta-2,6-dienoate)
CID 175905407
tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)
CID 175882289
dimethyl 2-[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenylidene]propanedioate
CID 11308667
6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one
CID 54479411

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one?
The IUPAC name of (4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one (CID 6450497) is (4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one.
What is the SMILES notation for (4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one?
The canonical SMILES for (4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one is CCC(=O)/C(C)=C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one?
The InChIKey is IOOAAQDGILGZAW-IFQMDVHZSA-N. The full InChI is InChI=1S/C15H24O/c1-6-15(16)14(5)11-10-13(4)9-7-8-12(2)3/h8,10-11H,6-7,9H2,1-5H3/b13-10+,14-11+.
What are the key properties of (4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one?
(4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one has a molecular weight of 220.36 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-4,7,11-trimethyldodeca-4,6,10-trien-3-one is sourced from PubChem (CID 6450497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).