5-methyltridecan-7-one

C14H28O — CID 71413449

IUPAC5-methyltridecan-7-one
SMILESCCCCCCC(=O)CC(C)CCCC
InChIInChI=1S/C14H28O/c1-4-6-8-9-11-14(15)12-13(3)10-7-5-2/h13H,4-12H2,1-3H3
InChIKeyCMMAFAXYVYNFQH-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.74
Rot. Bonds10

About 5-methyltridecan-7-one

5-methyltridecan-7-one (PubChem CID 71413449) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 5-methyltridecan-7-one.

Molecular Properties

Compound Name5-methyltridecan-7-one
PubChem CID71413449
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name5-methyltridecan-7-one
SMILESCCCCCCC(=O)CC(C)CCCC
InChIInChI=1S/C14H28O/c1-4-6-8-9-11-14(15)12-13(3)10-7-5-2/h13H,4-12H2,1-3H3
InChIKeyCMMAFAXYVYNFQH-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyltridecan-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

12-methylhenicosan-10-one
CID 71761778
4-methyltetradecan-6-one
CID 12635285
6,10-dimethylpentadecan-8-one
CID 150688801
2,4-dimethyltetradecan-6-one
CID 57292607
2-methylhexadecan-4-one
CID 63411798
2-hydroxyundecan-4-one
CID 57218315
methyl (3R)-3-methyl-5-oxoundecanoate
CID 13198418
2-methylhexadecane-4,7-dione
CID 57053022
17-methylpentacosan-2-one
CID 57068605
1-hydroxy-3-oxononane-1-sulfonic acid
CID 11687549
1-amino-2-methyltetradecan-5-one
CID 116607429
8-propan-2-yldocosan-10-one
CID 172567121

Frequently Asked Questions

What is the IUPAC name of 5-methyltridecan-7-one?
The IUPAC name of 5-methyltridecan-7-one (CID 71413449) is 5-methyltridecan-7-one.
What is the SMILES notation for 5-methyltridecan-7-one?
The canonical SMILES for 5-methyltridecan-7-one is CCCCCCC(=O)CC(C)CCCC.
What is the InChIKey of 5-methyltridecan-7-one?
The InChIKey is CMMAFAXYVYNFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-6-8-9-11-14(15)12-13(3)10-7-5-2/h13H,4-12H2,1-3H3.
What are the key properties of 5-methyltridecan-7-one?
5-methyltridecan-7-one has a molecular weight of 212.38 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyltridecan-7-one is sourced from PubChem (CID 71413449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).