5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one

C12H20O2 — CID 58874383

IUPAC5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one
SMILESCC(C)C1=C(C(C)C)C(C)(C)OC1=O
InChIInChI=1S/C12H20O2/c1-7(2)9-10(8(3)4)12(5,6)14-11(9)13/h7-8H,1-6H3
InChIKeyWHUFHNPAEVCSCX-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds2

About 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one

5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one (PubChem CID 58874383) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one
PubChem CID58874383
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one
SMILESCC(C)C1=C(C(C)C)C(C)(C)OC1=O
InChIInChI=1S/C12H20O2/c1-7(2)9-10(8(3)4)12(5,6)14-11(9)13/h7-8H,1-6H3
InChIKeyWHUFHNPAEVCSCX-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one?
The IUPAC name of 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one (CID 58874383) is 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one.
What is the SMILES notation for 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one?
The canonical SMILES for 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one is CC(C)C1=C(C(C)C)C(C)(C)OC1=O.
What is the InChIKey of 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one?
The InChIKey is WHUFHNPAEVCSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-7(2)9-10(8(3)4)12(5,6)14-11(9)13/h7-8H,1-6H3.
What are the key properties of 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one?
5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one is sourced from PubChem (CID 58874383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).