(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one

C8H12O3 — CID 100975981

IUPAC(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one
SMILESC/C=C/[C@@H](O)[C@H]1CCOC1=O
InChIInChI=1S/C8H12O3/c1-2-3-7(9)6-4-5-11-8(6)10/h2-3,6-7,9H,4-5H2,1H3/b3-2+/t6-,7-/m1/s1
InChIKeyAWUUKOIILAECHP-WUCZRCLBSA-N
MW156.18 g/mol
LogP0.49
Rot. Bonds2

About (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one

(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one (PubChem CID 100975981) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one
PubChem CID100975981
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one
SMILESC/C=C/[C@@H](O)[C@H]1CCOC1=O
InChIInChI=1S/C8H12O3/c1-2-3-7(9)6-4-5-11-8(6)10/h2-3,6-7,9H,4-5H2,1H3/b3-2+/t6-,7-/m1/s1
InChIKeyAWUUKOIILAECHP-WUCZRCLBSA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Kobifuranone A
CID 10845550
(3R,4S)-3-[(1S)-1-hydroxyethyl]-4-[(1E,3E)-penta-1,3-dienyl]oxolan-2-one
CID 163026514
dimethyl (1S,2R)-3-hydroxycyclohex-4-ene-1,2-dicarboxylate
CID 57549775
methyl 2-fluoro-2-[(1R,2R)-2-hydroxycyclopent-3-en-1-yl]acetate
CID 58878668
Methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate
CID 67690053
methyl 2-fluoro-2-[(2R)-2-hydroxycyclopent-3-en-1-yl]acetate
CID 89042835
4-Hexenoic acid, 3-hydroxy-2-methyl-, methyl ester, (R*,R*)-
CID 5368117
(3S,4S,5S)-4-hydroxy-3-[(1R,2E,4E)-1-hydroxyhexa-2,4-dienyl]-5-methyloxolan-2-one
CID 11367838
dimethyl (1S,2R,3S)-3-hydroxycyclohex-4-ene-1,2-dicarboxylate
CID 25224363
methyl 3-[(E)-4-hydroxybut-2-enyl]-5-methylidene-2-oxooxolane-3-carboxylate
CID 102175697
methyl (2S,3R,4E)-3-hydroxy-2-methylocta-4,7-dienoate
CID 134841371
methyl (E,2S,3R)-3-hydroxy-2-propan-2-ylhex-4-enoate
CID 135014430

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one?
The IUPAC name of (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one (CID 100975981) is (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one is C/C=C/[C@@H](O)[C@H]1CCOC1=O.
What is the InChIKey of (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one?
The InChIKey is AWUUKOIILAECHP-WUCZRCLBSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-3-7(9)6-4-5-11-8(6)10/h2-3,6-7,9H,4-5H2,1H3/b3-2+/t6-,7-/m1/s1.
What are the key properties of (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one?
(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one is sourced from PubChem (CID 100975981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).