2-(2-methylnonan-2-yl)-2H-furan-5-one

C14H24O2 — CID 129257118

IUPAC2-(2-methylnonan-2-yl)-2H-furan-5-one
SMILESCCCCCCCC(C)(C)C1C=CC(=O)O1
InChIInChI=1S/C14H24O2/c1-4-5-6-7-8-11-14(2,3)12-9-10-13(15)16-12/h9-10,12H,4-8,11H2,1-3H3
InChIKeyIHTGAHYNDAYVDA-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds7

About 2-(2-methylnonan-2-yl)-2H-furan-5-one

2-(2-methylnonan-2-yl)-2H-furan-5-one (PubChem CID 129257118) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(2-methylnonan-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name2-(2-methylnonan-2-yl)-2H-furan-5-one
PubChem CID129257118
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(2-methylnonan-2-yl)-2H-furan-5-one
SMILESCCCCCCCC(C)(C)C1C=CC(=O)O1
InChIInChI=1S/C14H24O2/c1-4-5-6-7-8-11-14(2,3)12-9-10-13(15)16-12/h9-10,12H,4-8,11H2,1-3H3
InChIKeyIHTGAHYNDAYVDA-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
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

2-(4-hydroxyheptan-4-yl)-2H-furan-5-one
CID 102468529
(2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one
CID 11337567
3-hexyl-2,3-dihydropyran-6-one
CID 134890393
(2S)-2-(6-hydroxy-6-methyloctyl)-2H-furan-5-one
CID 10799274
(2S)-2-[(1R)-1-hydroxyoctyl]-2H-furan-5-one
CID 101421510
(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one
CID 56590637
(2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one
CID 12733520
3-hydroxy-2-(2,4,6,8-tetrahydroxytricosyl)-2,3-dihydropyran-6-one
CID 75995977
1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione
CID 139640710
(2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one
CID 56590638
2-nonyl-2,3-dihydropyran-6-one
CID 15825660
(2S)-2-[(4R)-3-methylidene-2-oxoundecan-4-yl]-2H-furan-5-one
CID 56595375

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylnonan-2-yl)-2H-furan-5-one?
The IUPAC name of 2-(2-methylnonan-2-yl)-2H-furan-5-one (CID 129257118) is 2-(2-methylnonan-2-yl)-2H-furan-5-one.
What is the SMILES notation for 2-(2-methylnonan-2-yl)-2H-furan-5-one?
The canonical SMILES for 2-(2-methylnonan-2-yl)-2H-furan-5-one is CCCCCCCC(C)(C)C1C=CC(=O)O1.
What is the InChIKey of 2-(2-methylnonan-2-yl)-2H-furan-5-one?
The InChIKey is IHTGAHYNDAYVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-5-6-7-8-11-14(2,3)12-9-10-13(15)16-12/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 2-(2-methylnonan-2-yl)-2H-furan-5-one?
2-(2-methylnonan-2-yl)-2H-furan-5-one has a molecular weight of 224.34 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylnonan-2-yl)-2H-furan-5-one is sourced from PubChem (CID 129257118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).