8,12-dimethyltridec-11-en-4-one

C15H28O — CID 71359316

IUPAC8,12-dimethyltridec-11-en-4-one
SMILESCCCC(=O)CCCC(C)CCC=C(C)C
InChIInChI=1S/C15H28O/c1-5-8-15(16)12-7-11-14(4)10-6-9-13(2)3/h9,14H,5-8,10-12H2,1-4H3
InChIKeyTZIHPXRIDCAZMD-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.91
Rot. Bonds9

About 8,12-dimethyltridec-11-en-4-one

8,12-dimethyltridec-11-en-4-one (PubChem CID 71359316) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 8,12-dimethyltridec-11-en-4-one.

Molecular Properties

Compound Name8,12-dimethyltridec-11-en-4-one
PubChem CID71359316
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name8,12-dimethyltridec-11-en-4-one
SMILESCCCC(=O)CCCC(C)CCC=C(C)C
InChIInChI=1S/C15H28O/c1-5-8-15(16)12-7-11-14(4)10-6-9-13(2)3/h9,14H,5-8,10-12H2,1-4H3
InChIKeyTZIHPXRIDCAZMD-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate
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5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951
[(3R)-3,7-dimethyloct-6-enyl] butanoate
CID 23616651
acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol
CID 174503934
4,8,13,17-tetramethyloctadec-16-ene-2,11-dione
CID 87880909
2,6,10-trimethylundec-2-ene
CID 14805750
2,7-dimethyldec-2-ene
CID 123304905
6,10-dimethylundec-9-ene-2,3-dione
CID 91218155
8,12-dimethyltridec-11-ene-3,6-dione
CID 138968115
3,7-dimethyloct-6-en-1-ol;hexanal
CID 88603702
1-O-butyl 4-O-(3,7-dimethyloct-6-enyl) butanedioate
CID 91701782
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520

Frequently Asked Questions

What is the IUPAC name of 8,12-dimethyltridec-11-en-4-one?
The IUPAC name of 8,12-dimethyltridec-11-en-4-one (CID 71359316) is 8,12-dimethyltridec-11-en-4-one.
What is the SMILES notation for 8,12-dimethyltridec-11-en-4-one?
The canonical SMILES for 8,12-dimethyltridec-11-en-4-one is CCCC(=O)CCCC(C)CCC=C(C)C.
What is the InChIKey of 8,12-dimethyltridec-11-en-4-one?
The InChIKey is TZIHPXRIDCAZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-8-15(16)12-7-11-14(4)10-6-9-13(2)3/h9,14H,5-8,10-12H2,1-4H3.
What are the key properties of 8,12-dimethyltridec-11-en-4-one?
8,12-dimethyltridec-11-en-4-one has a molecular weight of 224.39 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12-dimethyltridec-11-en-4-one is sourced from PubChem (CID 71359316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).