2,2-diethyl-5-methylfuran-3-one

C9H14O2 — CID 21465723

IUPAC2,2-diethyl-5-methylfuran-3-one
SMILESCCC1(CC)OC(C)=CC1=O
InChIInChI=1S/C9H14O2/c1-4-9(5-2)8(10)6-7(3)11-9/h6H,4-5H2,1-3H3
InChIKeyAHXPUKSNSZPTFH-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About 2,2-diethyl-5-methylfuran-3-one

2,2-diethyl-5-methylfuran-3-one (PubChem CID 21465723) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,2-diethyl-5-methylfuran-3-one.

Molecular Properties

Compound Name2,2-diethyl-5-methylfuran-3-one
PubChem CID21465723
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2,2-diethyl-5-methylfuran-3-one
SMILESCCC1(CC)OC(C)=CC1=O
InChIInChI=1S/C9H14O2/c1-4-9(5-2)8(10)6-7(3)11-9/h6H,4-5H2,1-3H3
InChIKeyAHXPUKSNSZPTFH-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3(2H)-Furanone, 2,2,5-trimethyl-
CID 137080
2,2-Dimethyl-5-pentyl-2,3-dihydro-3-furanone
CID 13333783
2-(2-Bromoprop-2-enyl)-2,5-dimethylfuran-3-one
CID 11107174
3(2H)-Furanone, 5-ethyl-2,2-dimethyl-
CID 11309557
2-Ethyl-2,5-dimethyl-3(2h)-furanone
CID 129803748
2,2-Dimethyl-5-propyl-3(2h)-furanone
CID 129803934
2,5-Dimethyl-2-prop-2-enylfuran-3-one
CID 145994580
5-t-Butyl-2,2-dimethyl-3(2H)-furanone
CID 565429
2,2-Dimethyl-5-neopentyl-furan-3-one
CID 13333594
2,2-Dimethyl-5-(2-methylpropyl)furan-3-one
CID 13333782
2,2,5-Trimethyl-4-prop-2-enylfuran-3-one
CID 85712556
2,5-Diethylfuran-3-one
CID 23330663

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-methylfuran-3-one?
The IUPAC name of 2,2-diethyl-5-methylfuran-3-one (CID 21465723) is 2,2-diethyl-5-methylfuran-3-one.
What is the SMILES notation for 2,2-diethyl-5-methylfuran-3-one?
The canonical SMILES for 2,2-diethyl-5-methylfuran-3-one is CCC1(CC)OC(C)=CC1=O.
What is the InChIKey of 2,2-diethyl-5-methylfuran-3-one?
The InChIKey is AHXPUKSNSZPTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-9(5-2)8(10)6-7(3)11-9/h6H,4-5H2,1-3H3.
What are the key properties of 2,2-diethyl-5-methylfuran-3-one?
2,2-diethyl-5-methylfuran-3-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-methylfuran-3-one is sourced from PubChem (CID 21465723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).