4,6,8,10-tetramethyltridecan-7-one

C17H34O — CID 150096425

IUPAC4,6,8,10-tetramethyltridecan-7-one
SMILESCCCC(C)CC(C)C(=O)C(C)CC(C)CCC
InChIInChI=1S/C17H34O/c1-7-9-13(3)11-15(5)17(18)16(6)12-14(4)10-8-2/h13-16H,7-12H2,1-6H3
InChIKeyDUIHRCIODNUNCV-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.48
Rot. Bonds10

About 4,6,8,10-tetramethyltridecan-7-one

4,6,8,10-tetramethyltridecan-7-one (PubChem CID 150096425) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 4,6,8,10-tetramethyltridecan-7-one.

Molecular Properties

Compound Name4,6,8,10-tetramethyltridecan-7-one
PubChem CID150096425
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name4,6,8,10-tetramethyltridecan-7-one
SMILESCCCC(C)CC(C)C(=O)C(C)CC(C)CCC
InChIInChI=1S/C17H34O/c1-7-9-13(3)11-15(5)17(18)16(6)12-14(4)10-8-2/h13-16H,7-12H2,1-6H3
InChIKeyDUIHRCIODNUNCV-UHFFFAOYSA-N
XLogP5.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,6,8,10-tetramethyltridecan-7-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

(6S)-4,6-dimethylnonan-5-one
CID 177467625
methyl 2,4,8-trimethylundecanoate
CID 560442
(3S,5R)-3,5-dimethyloctanoic acid
CID 175942531
barium(2+);hydride;2-(2-methylpentyl)propanedioic acid
CID 174968550
2,4-dimethylicosanoate
CID 102514957
2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one
CID 174871852
(4R)-2,4-dimethylheptan-3-one
CID 6999069
(3R,5R)-3,5-dimethyloctanoate;rubidium(1+)
CID 59788976
butane-1,2,3,4-tetracarboxylic acid;tetrakis(2,4-dimethylheptanamide)
CID 173380506
4-methylheptane
CID 11512
4-methylheptane
CID 91413347
2,4-dimethyltetradecanoic acid
CID 5282697

Frequently Asked Questions

What is the IUPAC name of 4,6,8,10-tetramethyltridecan-7-one?
The IUPAC name of 4,6,8,10-tetramethyltridecan-7-one (CID 150096425) is 4,6,8,10-tetramethyltridecan-7-one.
What is the SMILES notation for 4,6,8,10-tetramethyltridecan-7-one?
The canonical SMILES for 4,6,8,10-tetramethyltridecan-7-one is CCCC(C)CC(C)C(=O)C(C)CC(C)CCC.
What is the InChIKey of 4,6,8,10-tetramethyltridecan-7-one?
The InChIKey is DUIHRCIODNUNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-7-9-13(3)11-15(5)17(18)16(6)12-14(4)10-8-2/h13-16H,7-12H2,1-6H3.
What are the key properties of 4,6,8,10-tetramethyltridecan-7-one?
4,6,8,10-tetramethyltridecan-7-one has a molecular weight of 254.46 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8,10-tetramethyltridecan-7-one is sourced from PubChem (CID 150096425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).