2,2-dimethyl-5-(2-methylpropyl)furan-3-one

C10H16O2 — CID 13333782

IUPAC2,2-dimethyl-5-(2-methylpropyl)furan-3-one
SMILESCC(C)CC1=CC(=O)C(C)(C)O1
InChIInChI=1S/C10H16O2/c1-7(2)5-8-6-9(11)10(3,4)12-8/h6-7H,5H2,1-4H3
InChIKeyOIAXPLRHUAINRW-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

About 2,2-dimethyl-5-(2-methylpropyl)furan-3-one

2,2-dimethyl-5-(2-methylpropyl)furan-3-one (PubChem CID 13333782) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylpropyl)furan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylpropyl)furan-3-one
PubChem CID13333782
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,2-dimethyl-5-(2-methylpropyl)furan-3-one
SMILESCC(C)CC1=CC(=O)C(C)(C)O1
InChIInChI=1S/C10H16O2/c1-7(2)5-8-6-9(11)10(3,4)12-8/h6-7H,5H2,1-4H3
InChIKeyOIAXPLRHUAINRW-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylpropyl)furan-3-one?
The IUPAC name of 2,2-dimethyl-5-(2-methylpropyl)furan-3-one (CID 13333782) is 2,2-dimethyl-5-(2-methylpropyl)furan-3-one.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylpropyl)furan-3-one?
The canonical SMILES for 2,2-dimethyl-5-(2-methylpropyl)furan-3-one is CC(C)CC1=CC(=O)C(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-5-(2-methylpropyl)furan-3-one?
The InChIKey is OIAXPLRHUAINRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)5-8-6-9(11)10(3,4)12-8/h6-7H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-(2-methylpropyl)furan-3-one?
2,2-dimethyl-5-(2-methylpropyl)furan-3-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methylpropyl)furan-3-one is sourced from PubChem (CID 13333782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).