5,5-dipropylfuran-2-one

C10H16O2 — CID 12712267

IUPAC5,5-dipropylfuran-2-one
SMILESCCCC1(CCC)C=CC(=O)O1
InChIInChI=1S/C10H16O2/c1-3-6-10(7-4-2)8-5-9(11)12-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyYEBPXYSQQWEJBW-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds4

About 5,5-dipropylfuran-2-one

5,5-dipropylfuran-2-one (PubChem CID 12712267) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5,5-dipropylfuran-2-one.

Molecular Properties

Compound Name5,5-dipropylfuran-2-one
PubChem CID12712267
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5,5-dipropylfuran-2-one
SMILESCCCC1(CCC)C=CC(=O)O1
InChIInChI=1S/C10H16O2/c1-3-6-10(7-4-2)8-5-9(11)12-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyYEBPXYSQQWEJBW-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(5S)-4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
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(5S)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 162856502
1-Oxaspiro(4.5)dec-3-en-2-one
CID 642952
5,5-Diethylfuran-2-one
CID 12515801
tert-butyl (E)-3-cyclohexyl-2-fluoroprop-2-enoate
CID 176421970
Agn-PC-03E5J0
CID 11126831
ethyl (E)-4-ethyloct-2-enoate
CID 10608029
tert-butyl (2E)-3-cyclohexylprop-2-enoate
CID 11287288
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Frequently Asked Questions

What is the IUPAC name of 5,5-dipropylfuran-2-one?
The IUPAC name of 5,5-dipropylfuran-2-one (CID 12712267) is 5,5-dipropylfuran-2-one.
What is the SMILES notation for 5,5-dipropylfuran-2-one?
The canonical SMILES for 5,5-dipropylfuran-2-one is CCCC1(CCC)C=CC(=O)O1.
What is the InChIKey of 5,5-dipropylfuran-2-one?
The InChIKey is YEBPXYSQQWEJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-6-10(7-4-2)8-5-9(11)12-10/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 5,5-dipropylfuran-2-one?
5,5-dipropylfuran-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dipropylfuran-2-one is sourced from PubChem (CID 12712267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).