3,7,11-trimethyldodeca-4,6,10-trien-2-one

C15H24O — CID 91406530

IUPAC3,7,11-trimethyldodeca-4,6,10-trien-2-one
SMILESCC(=O)C(C)C=CC=C(C)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-12(2)8-6-9-13(3)10-7-11-14(4)15(5)16/h7-8,10-11,14H,6,9H2,1-5H3
InChIKeyNBLKBWRCSUTRAX-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.46
Rot. Bonds6

About 3,7,11-trimethyldodeca-4,6,10-trien-2-one

3,7,11-trimethyldodeca-4,6,10-trien-2-one (PubChem CID 91406530) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-4,6,10-trien-2-one.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-4,6,10-trien-2-one
PubChem CID91406530
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3,7,11-trimethyldodeca-4,6,10-trien-2-one
SMILESCC(=O)C(C)C=CC=C(C)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-12(2)8-6-9-13(3)10-7-11-14(4)15(5)16/h7-8,10-11,14H,6,9H2,1-5H3
InChIKeyNBLKBWRCSUTRAX-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7,11-trimethyldodeca-1,4,6,10-tetraen-2-ol
CID 74014383
2,6,10,11-tetramethyldodeca-2,6,8-triene
CID 123796118
2,8,12-trimethyltrideca-5,7,11-trien-4-one
CID 54329025
6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one
CID 54479411
[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane
CID 50905460
(3E,5Z,7Z,9E)-6,10,14-trimethylpentadeca-3,5,7,9,13-pentaen-2-one
CID 134820096
3,7-dimethylocta-2,6-dienal
CID 8843
6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid
CID 88635558
2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene
CID 173093653
3,7,11-trimethyldodeca-2,4,6,10-tetraenal
CID 549769

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodeca-4,6,10-trien-2-one?
The IUPAC name of 3,7,11-trimethyldodeca-4,6,10-trien-2-one (CID 91406530) is 3,7,11-trimethyldodeca-4,6,10-trien-2-one.
What is the SMILES notation for 3,7,11-trimethyldodeca-4,6,10-trien-2-one?
The canonical SMILES for 3,7,11-trimethyldodeca-4,6,10-trien-2-one is CC(=O)C(C)C=CC=C(C)CCC=C(C)C.
What is the InChIKey of 3,7,11-trimethyldodeca-4,6,10-trien-2-one?
The InChIKey is NBLKBWRCSUTRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)8-6-9-13(3)10-7-11-14(4)15(5)16/h7-8,10-11,14H,6,9H2,1-5H3.
What are the key properties of 3,7,11-trimethyldodeca-4,6,10-trien-2-one?
3,7,11-trimethyldodeca-4,6,10-trien-2-one has a molecular weight of 220.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-4,6,10-trien-2-one is sourced from PubChem (CID 91406530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).