2-methyl-4-(7-methylnonyl)-2H-furan-5-one

C15H26O2 — CID 73240313

IUPAC2-methyl-4-(7-methylnonyl)-2H-furan-5-one
SMILESCCC(C)CCCCCCC1=CC(C)OC1=O
InChIInChI=1S/C15H26O2/c1-4-12(2)9-7-5-6-8-10-14-11-13(3)17-15(14)16/h11-13H,4-10H2,1-3H3
InChIKeyGGPPVFPMDTYVJM-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds8

About 2-methyl-4-(7-methylnonyl)-2H-furan-5-one

2-methyl-4-(7-methylnonyl)-2H-furan-5-one (PubChem CID 73240313) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-methyl-4-(7-methylnonyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-methyl-4-(7-methylnonyl)-2H-furan-5-one
PubChem CID73240313
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-methyl-4-(7-methylnonyl)-2H-furan-5-one
SMILESCCC(C)CCCCCCC1=CC(C)OC1=O
InChIInChI=1S/C15H26O2/c1-4-12(2)9-7-5-6-8-10-14-11-13(3)17-15(14)16/h11-13H,4-10H2,1-3H3
InChIKeyGGPPVFPMDTYVJM-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methyl-4-(5-methylhexyl)-2H-furan-5-one
CID 162984436
(2S)-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one
CID 101036422
(2S)-4-hexadecyl-2-methyl-2H-furan-5-one
CID 14188599
(2R)-4-heptyl-2-methyl-2H-furan-5-one
CID 10774282
(2S)-4-[(15R,16R)-15,16-dihydroxydotriacontyl]-2-methyl-2H-furan-5-one
CID 3083512
(2S)-4-[(13S)-13-hydroxy-14-[2-[(2S)-2-hydroxydodecoxy]ethoxy]tetradecyl]-2-methyl-2H-furan-5-one
CID 10099194
(2S)-2-methyl-4-[15-[(2R,3S)-3-tetradecyloxiran-2-yl]pentadecyl]-2H-furan-5-one
CID 101256892
(2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one
CID 162927180
(2R)-4-[12-[(2R,3R)-3-[2-[(2R,3S)-3-[2-[(2R,3R)-3-decyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2-methyl-2H-furan-5-one
CID 162895039
(2R)-4-[(Z)-hexacos-17-enyl]-2-methyl-2H-furan-5-one
CID 10939489
(2S)-4-[13-hydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 101218919
(2S)-4-[(17S)-17-hydroxy-17-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]heptadecyl]-2-methyl-2H-furan-5-one
CID 162880099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(7-methylnonyl)-2H-furan-5-one?
The IUPAC name of 2-methyl-4-(7-methylnonyl)-2H-furan-5-one (CID 73240313) is 2-methyl-4-(7-methylnonyl)-2H-furan-5-one.
What is the SMILES notation for 2-methyl-4-(7-methylnonyl)-2H-furan-5-one?
The canonical SMILES for 2-methyl-4-(7-methylnonyl)-2H-furan-5-one is CCC(C)CCCCCCC1=CC(C)OC1=O.
What is the InChIKey of 2-methyl-4-(7-methylnonyl)-2H-furan-5-one?
The InChIKey is GGPPVFPMDTYVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-12(2)9-7-5-6-8-10-14-11-13(3)17-15(14)16/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-methyl-4-(7-methylnonyl)-2H-furan-5-one?
2-methyl-4-(7-methylnonyl)-2H-furan-5-one has a molecular weight of 238.37 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(7-methylnonyl)-2H-furan-5-one is sourced from PubChem (CID 73240313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).