1-(2,3-dihydrofuran-3-yl)pentan-1-one

C9H14O2 — CID 10511067

IUPAC1-(2,3-dihydrofuran-3-yl)pentan-1-one
SMILESCCCCC(=O)C1C=COC1
InChIInChI=1S/C9H14O2/c1-2-3-4-9(10)8-5-6-11-7-8/h5-6,8H,2-4,7H2,1H3
InChIKeyRVBUJCNMDQLDRK-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds4

About 1-(2,3-dihydrofuran-3-yl)pentan-1-one

1-(2,3-dihydrofuran-3-yl)pentan-1-one (PubChem CID 10511067) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-3-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-3-yl)pentan-1-one
PubChem CID10511067
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(2,3-dihydrofuran-3-yl)pentan-1-one
SMILESCCCCC(=O)C1C=COC1
InChIInChI=1S/C9H14O2/c1-2-3-4-9(10)8-5-6-11-7-8/h5-6,8H,2-4,7H2,1H3
InChIKeyRVBUJCNMDQLDRK-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dihydrofuran-3-yl)-2-methylpropan-1-one
CID 141223605
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one
CID 157052916
1-(2,3-Dihydrofuran-3-yl)butan-1-one
CID 163447650
1-(2-Methyl-2,3-dihydrofuran-3-yl)pentan-1-one
CID 10487309
1-(3-methyl-2H-furan-3-yl)pentan-1-one
CID 10630940

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-3-yl)pentan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-3-yl)pentan-1-one (CID 10511067) is 1-(2,3-dihydrofuran-3-yl)pentan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-3-yl)pentan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-3-yl)pentan-1-one is CCCCC(=O)C1C=COC1.
What is the InChIKey of 1-(2,3-dihydrofuran-3-yl)pentan-1-one?
The InChIKey is RVBUJCNMDQLDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-4-9(10)8-5-6-11-7-8/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-3-yl)pentan-1-one?
1-(2,3-dihydrofuran-3-yl)pentan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-3-yl)pentan-1-one is sourced from PubChem (CID 10511067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).