3-(4-hydroxypentyl)-2H-furan-5-one

C9H14O3 — CID 175401766

IUPAC3-(4-hydroxypentyl)-2H-furan-5-one
SMILESCC(O)CCCC1=CC(=O)OC1
InChIInChI=1S/C9H14O3/c1-7(10)3-2-4-8-5-9(11)12-6-8/h5,7,10H,2-4,6H2,1H3
InChIKeyZRZKTVGDCIXSMM-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.02
Rot. Bonds4

About 3-(4-hydroxypentyl)-2H-furan-5-one

3-(4-hydroxypentyl)-2H-furan-5-one (PubChem CID 175401766) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(4-hydroxypentyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-hydroxypentyl)-2H-furan-5-one
PubChem CID175401766
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name3-(4-hydroxypentyl)-2H-furan-5-one
SMILESCC(O)CCCC1=CC(=O)OC1
InChIInChI=1S/C9H14O3/c1-7(10)3-2-4-8-5-9(11)12-6-8/h5,7,10H,2-4,6H2,1H3
InChIKeyZRZKTVGDCIXSMM-UHFFFAOYSA-N
XLogP1.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypentyl)-2H-furan-5-one?
The IUPAC name of 3-(4-hydroxypentyl)-2H-furan-5-one (CID 175401766) is 3-(4-hydroxypentyl)-2H-furan-5-one.
What is the SMILES notation for 3-(4-hydroxypentyl)-2H-furan-5-one?
The canonical SMILES for 3-(4-hydroxypentyl)-2H-furan-5-one is CC(O)CCCC1=CC(=O)OC1.
What is the InChIKey of 3-(4-hydroxypentyl)-2H-furan-5-one?
The InChIKey is ZRZKTVGDCIXSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7(10)3-2-4-8-5-9(11)12-6-8/h5,7,10H,2-4,6H2,1H3.
What are the key properties of 3-(4-hydroxypentyl)-2H-furan-5-one?
3-(4-hydroxypentyl)-2H-furan-5-one has a molecular weight of 170.21 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypentyl)-2H-furan-5-one is sourced from PubChem (CID 175401766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).