4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one

C10H14O3 — CID 85125819

IUPAC4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one
SMILESCCCC1C=C(C=CCO)C(=O)O1
InChIInChI=1S/C10H14O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h3,5,7,9,11H,2,4,6H2,1H3
InChIKeyWWJYPRXNKYXREE-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.19
Rot. Bonds4

About 4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one

4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one (PubChem CID 85125819) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one
PubChem CID85125819
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one
SMILESCCCC1C=C(C=CCO)C(=O)O1
InChIInChI=1S/C10H14O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h3,5,7,9,11H,2,4,6H2,1H3
InChIKeyWWJYPRXNKYXREE-UHFFFAOYSA-N
XLogP1.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one?
The IUPAC name of 4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one (CID 85125819) is 4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one.
What is the SMILES notation for 4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one?
The canonical SMILES for 4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one is CCCC1C=C(C=CCO)C(=O)O1.
What is the InChIKey of 4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one?
The InChIKey is WWJYPRXNKYXREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h3,5,7,9,11H,2,4,6H2,1H3.
What are the key properties of 4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one?
4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one has a molecular weight of 182.22 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one is sourced from PubChem (CID 85125819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).