1-methoxy-3-methyltridecan-4-one

C15H30O2 — CID 115807260

IUPAC1-methoxy-3-methyltridecan-4-one
SMILESCCCCCCCCCC(=O)C(C)CCOC
InChIInChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)14(2)12-13-17-3/h14H,4-13H2,1-3H3
InChIKeyFIGSQJKMCXZCJU-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.37
Rot. Bonds12

About 1-methoxy-3-methyltridecan-4-one

1-methoxy-3-methyltridecan-4-one (PubChem CID 115807260) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1-methoxy-3-methyltridecan-4-one.

Molecular Properties

Compound Name1-methoxy-3-methyltridecan-4-one
PubChem CID115807260
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1-methoxy-3-methyltridecan-4-one
SMILESCCCCCCCCCC(=O)C(C)CCOC
InChIInChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)14(2)12-13-17-3/h14H,4-13H2,1-3H3
InChIKeyFIGSQJKMCXZCJU-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-3-methyltridecan-4-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

10-amino-1-methoxy-3-methyldecan-4-one
CID 116551483
5-methyltridecane-2,6-dione
CID 13130352
methyl 3-methyl-4-oxoundecanoate
CID 13301938
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
methyl (4R)-4-methyl-3-oxotetradecanoate
CID 129409273
11-propylhenicosane-10,12-dione
CID 57313364
17-butyltritriacontane-16,18-dione
CID 173360243
13-pentadecylheptacosane-12,14-dione
CID 141100144
2-(heptanoylamino)-4-methoxybutanoic acid
CID 62479658
2-methylhexadecan-3-one
CID 58030381
25-methylnonatetracontane-24,26-dione
CID 173069947
15-methyltriacontane-14,17-dione
CID 57233805

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyltridecan-4-one?
The IUPAC name of 1-methoxy-3-methyltridecan-4-one (CID 115807260) is 1-methoxy-3-methyltridecan-4-one.
What is the SMILES notation for 1-methoxy-3-methyltridecan-4-one?
The canonical SMILES for 1-methoxy-3-methyltridecan-4-one is CCCCCCCCCC(=O)C(C)CCOC.
What is the InChIKey of 1-methoxy-3-methyltridecan-4-one?
The InChIKey is FIGSQJKMCXZCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)14(2)12-13-17-3/h14H,4-13H2,1-3H3.
What are the key properties of 1-methoxy-3-methyltridecan-4-one?
1-methoxy-3-methyltridecan-4-one has a molecular weight of 242.40 g/mol, XLogP of 4.37, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyltridecan-4-one is sourced from PubChem (CID 115807260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).