2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one

C12H20O2 — CID 59125817

IUPAC2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one
SMILESCCCC(C)CC1=C(C)C(=O)OC1C
InChIInChI=1S/C12H20O2/c1-5-6-8(2)7-11-9(3)12(13)14-10(11)4/h8,10H,5-7H2,1-4H3
InChIKeyIMNCYSKIHCBKTB-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds4

About 2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one

2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one (PubChem CID 59125817) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one.

Molecular Properties

Compound Name2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one
PubChem CID59125817
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one
SMILESCCCC(C)CC1=C(C)C(=O)OC1C
InChIInChI=1S/C12H20O2/c1-5-6-8(2)7-11-9(3)12(13)14-10(11)4/h8,10H,5-7H2,1-4H3
InChIKeyIMNCYSKIHCBKTB-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Americanolide D
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(6E,10R,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydrocyclotetradeca[b]furan-2,11-dione
CID 15523780
Mintlactone, (+)-
CID 10986613
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CID 13192443
Seiridin
CID 190634
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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one?
The IUPAC name of 2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one (CID 59125817) is 2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one.
What is the SMILES notation for 2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one?
The canonical SMILES for 2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one is CCCC(C)CC1=C(C)C(=O)OC1C.
What is the InChIKey of 2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one?
The InChIKey is IMNCYSKIHCBKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-5-6-8(2)7-11-9(3)12(13)14-10(11)4/h8,10H,5-7H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one?
2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one has a molecular weight of 196.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(2-methylpentyl)-2H-furan-5-one is sourced from PubChem (CID 59125817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).