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

C10H16O2 — CID 10487309

IUPAC1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one
SMILESCCCCC(=O)C1C=COC1C
InChIInChI=1S/C10H16O2/c1-3-4-5-10(11)9-6-7-12-8(9)2/h6-9H,3-5H2,1-2H3
InChIKeyTXZSCJDSHOSESQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds4

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

1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one (PubChem CID 10487309) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one
PubChem CID10487309
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one
SMILESCCCCC(=O)C1C=COC1C
InChIInChI=1S/C10H16O2/c1-3-4-5-10(11)9-6-7-12-8(9)2/h6-9H,3-5H2,1-2H3
InChIKeyTXZSCJDSHOSESQ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,6R)-2-hex-5-enyl-3,6-dimethyloxan-4-one
CID 9794332
5-(2-Methylpropyl)-2-prop-2-enyloxolan-3-one
CID 135042256
(3R)-3-methyl-2-pentyl-2,3-dihydropyran-4-one
CID 135080588
2-Methoxy-5-pent-4-en-2-yldecan-4-one
CID 91276197
(2S,4S,5R)-4-methyl-5-[(2R)-2-methylbutyl]-2-prop-2-enyloxolan-3-one
CID 121338909
3,6-dimethyl-5,6,7,8,9,10,11,11a-octahydro-3aH-cyclodeca[b]furan-4-one
CID 129168986
1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 141268539
2-(2-Methylpentyl)-2,3-dihydropyran-4-one
CID 145476045
1-(2,3-Dihydrofuran-3-yl)butan-1-one
CID 163447650
1-(2,3-Dihydrofuran-3-yl)pentan-1-one
CID 10511067
(5R)-5-[(1S)-1-methoxyethyl]undec-1-en-4-one
CID 10537256
1-(3-methyl-2H-furan-3-yl)pentan-1-one
CID 10630940

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one?
The IUPAC name of 1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one (CID 10487309) is 1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one.
What is the SMILES notation for 1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one?
The canonical SMILES for 1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one is CCCCC(=O)C1C=COC1C.
What is the InChIKey of 1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one?
The InChIKey is TXZSCJDSHOSESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-10(11)9-6-7-12-8(9)2/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one?
1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydrofuran-3-yl)pentan-1-one is sourced from PubChem (CID 10487309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).