5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid

C10H14O4 — CID 11521260

IUPAC5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid
SMILESC=C(C)C1CC(C(=O)O)=C(C(C)O)O1
InChIInChI=1S/C10H14O4/c1-5(2)8-4-7(10(12)13)9(14-8)6(3)11/h6,8,11H,1,4H2,2-3H3,(H,12,13)
InChIKeyLCTFFNIDBQQONM-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.07
Rot. Bonds3

About 5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid

5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid (PubChem CID 11521260) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid
PubChem CID11521260
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid
SMILESC=C(C)C1CC(C(=O)O)=C(C(C)O)O1
InChIInChI=1S/C10H14O4/c1-5(2)8-4-7(10(12)13)9(14-8)6(3)11/h6,8,11H,1,4H2,2-3H3,(H,12,13)
InChIKeyLCTFFNIDBQQONM-UHFFFAOYSA-N
XLogP1.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid
CID 93493214
3-methylidene-5-prop-1-en-2-yloxolan-2-one
CID 14714230
3-(2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid
CID 85177007
methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10515162
2-prop-1-en-2-yl-1,3-dioxole-4,5-dicarboxylic acid
CID 141006034
(5R)-5-prop-1-en-2-yloxolan-2-one
CID 12914394
cyclobutene-1,2-dicarboxylic acid;methyl 2-methylprop-2-enoate
CID 88665884
4-oxooxetane-2-carboxylic acid
CID 55299922
1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 13164967
4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde
CID 13164970
(2R)-4,6-dioxooxane-2-carboxylic acid
CID 124707644
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]propanoic acid
CID 55098742

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid?
The IUPAC name of 5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid (CID 11521260) is 5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid.
What is the SMILES notation for 5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid?
The canonical SMILES for 5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid is C=C(C)C1CC(C(=O)O)=C(C(C)O)O1.
What is the InChIKey of 5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid?
The InChIKey is LCTFFNIDBQQONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-5(2)8-4-7(10(12)13)9(14-8)6(3)11/h6,8,11H,1,4H2,2-3H3,(H,12,13).
What are the key properties of 5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid?
5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid is sourced from PubChem (CID 11521260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).