5-methyl-6-nonyloxan-2-one

C15H28O2 — CID 177459233

IUPAC5-methyl-6-nonyloxan-2-one
SMILESCCCCCCCCCC1OC(=O)CCC1C
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-14-13(2)11-12-15(16)17-14/h13-14H,3-12H2,1-2H3
InChIKeySUESGVOHDVFFLZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.47
Rot. Bonds8

About 5-methyl-6-nonyloxan-2-one

5-methyl-6-nonyloxan-2-one (PubChem CID 177459233) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-methyl-6-nonyloxan-2-one.

Molecular Properties

Compound Name5-methyl-6-nonyloxan-2-one
PubChem CID177459233
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name5-methyl-6-nonyloxan-2-one
SMILESCCCCCCCCCC1OC(=O)CCC1C
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-14-13(2)11-12-15(16)17-14/h13-14H,3-12H2,1-2H3
InChIKeySUESGVOHDVFFLZ-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-6-nonyloxan-2-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

6-hexyl-5-methyloxan-2-one
CID 72789677
5-decyloxolan-2-one;4-methyl-5-pentyloxolan-2-one
CID 164873701
butane;(7R,8R)-8-hexyl-7-methyloxocane-2,5-dione
CID 170769406
(5R,6S)-5-iodo-6-pentyloxan-2-one
CID 132521395
(5S)-5-pentacosyloxolan-2-one
CID 11102176
(5S)-5-tridecyloxolan-2-one
CID 11065462
5-octyloxolan-2-one
CID 16821
6-methyl-5-pentyloxan-2-one
CID 170782002
(4S,5R)-5-heptyl-4-hydroxyoxolan-2-one
CID 102399491
2-octyl-5-oxooxolane-3-carboxylic acid
CID 141157578
6-icosyloxan-2-one
CID 100966702
(4R,5S)-4-methylsulfanyl-5-octyloxolan-2-one
CID 132551224

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-nonyloxan-2-one?
The IUPAC name of 5-methyl-6-nonyloxan-2-one (CID 177459233) is 5-methyl-6-nonyloxan-2-one.
What is the SMILES notation for 5-methyl-6-nonyloxan-2-one?
The canonical SMILES for 5-methyl-6-nonyloxan-2-one is CCCCCCCCCC1OC(=O)CCC1C.
What is the InChIKey of 5-methyl-6-nonyloxan-2-one?
The InChIKey is SUESGVOHDVFFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-14-13(2)11-12-15(16)17-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 5-methyl-6-nonyloxan-2-one?
5-methyl-6-nonyloxan-2-one has a molecular weight of 240.39 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-nonyloxan-2-one is sourced from PubChem (CID 177459233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).