8,12-dimethyltrideca-5,7,11-trien-4-one

C15H24O — CID 3017611

IUPAC8,12-dimethyltrideca-5,7,11-trien-4-one
SMILESCCCC(=O)C=CC=C(C)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-5-8-15(16)12-7-11-14(4)10-6-9-13(2)3/h7,9,11-12H,5-6,8,10H2,1-4H3
InChIKeyWSEVLUFENBPOSN-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.60
Rot. Bonds7

About 8,12-dimethyltrideca-5,7,11-trien-4-one

8,12-dimethyltrideca-5,7,11-trien-4-one (PubChem CID 3017611) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 8,12-dimethyltrideca-5,7,11-trien-4-one.

Molecular Properties

Compound Name8,12-dimethyltrideca-5,7,11-trien-4-one
PubChem CID3017611
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name8,12-dimethyltrideca-5,7,11-trien-4-one
SMILESCCCC(=O)C=CC=C(C)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-5-8-15(16)12-7-11-14(4)10-6-9-13(2)3/h7,9,11-12H,5-6,8,10H2,1-4H3
InChIKeyWSEVLUFENBPOSN-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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'}

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Related Compounds

Geranylacetone
CID 1549778
Pseudoionone
CID 1757003
Nerylacetone
CID 1713001
6,10-Dimethylundeca-5,9-Dien-2-One
CID 19633
Zerumbone
CID 5470187
6-Methyl-3,5-heptadien-2-one
CID 5370101
2-Hepten-4-one
CID 5463238
6-Methylhepta-3,5-dien-2-one
CID 27971
4,8-Dimethyl-3,7-nonadien-2-one
CID 6536892
6-Methyl-hepta-3,5-diene-2-one
CID 12510894
5-Octen-2-one, 6-methyl-
CID 91135
3-Hepten-2-one, 3-methyl-
CID 5364798

Frequently Asked Questions

What is the IUPAC name of 8,12-dimethyltrideca-5,7,11-trien-4-one?
The IUPAC name of 8,12-dimethyltrideca-5,7,11-trien-4-one (CID 3017611) is 8,12-dimethyltrideca-5,7,11-trien-4-one.
What is the SMILES notation for 8,12-dimethyltrideca-5,7,11-trien-4-one?
The canonical SMILES for 8,12-dimethyltrideca-5,7,11-trien-4-one is CCCC(=O)C=CC=C(C)CCC=C(C)C.
What is the InChIKey of 8,12-dimethyltrideca-5,7,11-trien-4-one?
The InChIKey is WSEVLUFENBPOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-8-15(16)12-7-11-14(4)10-6-9-13(2)3/h7,9,11-12H,5-6,8,10H2,1-4H3.
What are the key properties of 8,12-dimethyltrideca-5,7,11-trien-4-one?
8,12-dimethyltrideca-5,7,11-trien-4-one has a molecular weight of 220.36 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12-dimethyltrideca-5,7,11-trien-4-one is sourced from PubChem (CID 3017611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).