(5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one

C9H14O3 — CID 130736797

IUPAC(5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one
SMILESC=CC(O)CC1C[C@@H](C)OC1=O
InChIInChI=1S/C9H14O3/c1-3-8(10)5-7-4-6(2)12-9(7)11/h3,6-8,10H,1,4-5H2,2H3/t6-,7?,8?/m1/s1
InChIKeyJUCUALSABMRAND-JECWYVHBSA-N
MW170.21 g/mol
LogP0.88
Rot. Bonds3

About (5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one

(5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one (PubChem CID 130736797) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name(5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one
PubChem CID130736797
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one
SMILESC=CC(O)CC1C[C@@H](C)OC1=O
InChIInChI=1S/C9H14O3/c1-3-8(10)5-7-4-6(2)12-9(7)11/h3,6-8,10H,1,4-5H2,2H3/t6-,7?,8?/m1/s1
InChIKeyJUCUALSABMRAND-JECWYVHBSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one?
The IUPAC name of (5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one (CID 130736797) is (5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one.
What is the SMILES notation for (5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one?
The canonical SMILES for (5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one is C=CC(O)CC1C[C@@H](C)OC1=O.
What is the InChIKey of (5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one?
The InChIKey is JUCUALSABMRAND-JECWYVHBSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-8(10)5-7-4-6(2)12-9(7)11/h3,6-8,10H,1,4-5H2,2H3/t6-,7?,8?/m1/s1.
What are the key properties of (5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one?
(5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-hydroxybut-3-enyl)-5-methyloxolan-2-one is sourced from PubChem (CID 130736797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).