7,11-dimethyldodeca-3,6,10-trien-5-one

C14H22O — CID 54142162

IUPAC7,11-dimethyldodeca-3,6,10-trien-5-one
SMILESCCC=CC(=O)C=C(C)CCC=C(C)C
InChIInChI=1S/C14H22O/c1-5-6-10-14(15)11-13(4)9-7-8-12(2)3/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyOBVSDCTWFJKFPH-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.21
Rot. Bonds6

About 7,11-dimethyldodeca-3,6,10-trien-5-one

7,11-dimethyldodeca-3,6,10-trien-5-one (PubChem CID 54142162) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 7,11-dimethyldodeca-3,6,10-trien-5-one.

Molecular Properties

Compound Name7,11-dimethyldodeca-3,6,10-trien-5-one
PubChem CID54142162
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name7,11-dimethyldodeca-3,6,10-trien-5-one
SMILESCCC=CC(=O)C=C(C)CCC=C(C)C
InChIInChI=1S/C14H22O/c1-5-6-10-14(15)11-13(4)9-7-8-12(2)3/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyOBVSDCTWFJKFPH-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.21
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'}

Analyze 7,11-dimethyldodeca-3,6,10-trien-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)
CID 175882289
barium(2+);bis((2Z)-3,7-dimethylocta-2,6-dienoate)
CID 175905407
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
(1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one
CID 135570572
3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796
N-hydroxy-N,3,7-trimethylocta-2,6-dienamide
CID 54538014
ethyl (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoate
CID 53482566
ethyl 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenoate
CID 57102795
ethyl (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
CID 5366011
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol
CID 71345657
methyl (2E)-3,7-dimethylocta-2,6-dieneperoxoate
CID 155204253

Frequently Asked Questions

What is the IUPAC name of 7,11-dimethyldodeca-3,6,10-trien-5-one?
The IUPAC name of 7,11-dimethyldodeca-3,6,10-trien-5-one (CID 54142162) is 7,11-dimethyldodeca-3,6,10-trien-5-one.
What is the SMILES notation for 7,11-dimethyldodeca-3,6,10-trien-5-one?
The canonical SMILES for 7,11-dimethyldodeca-3,6,10-trien-5-one is CCC=CC(=O)C=C(C)CCC=C(C)C.
What is the InChIKey of 7,11-dimethyldodeca-3,6,10-trien-5-one?
The InChIKey is OBVSDCTWFJKFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-6-10-14(15)11-13(4)9-7-8-12(2)3/h6,8,10-11H,5,7,9H2,1-4H3.
What are the key properties of 7,11-dimethyldodeca-3,6,10-trien-5-one?
7,11-dimethyldodeca-3,6,10-trien-5-one has a molecular weight of 206.33 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dimethyldodeca-3,6,10-trien-5-one is sourced from PubChem (CID 54142162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).