(3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one

C7H10O3 — CID 131243627

IUPAC(3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one
SMILESC/C=C/[C@H]1C[C@@H](O)C(=O)O1
InChIInChI=1S/C7H10O3/c1-2-3-5-4-6(8)7(9)10-5/h2-3,5-6,8H,4H2,1H3/b3-2+/t5-,6+/m0/s1
InChIKeyPDNYFRPSCSVMGD-KFBNRENSSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

About (3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one

(3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one (PubChem CID 131243627) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one
PubChem CID131243627
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one
SMILESC/C=C/[C@H]1C[C@@H](O)C(=O)O1
InChIInChI=1S/C7H10O3/c1-2-3-5-4-6(8)7(9)10-5/h2-3,5-6,8H,4H2,1H3/b3-2+/t5-,6+/m0/s1
InChIKeyPDNYFRPSCSVMGD-KFBNRENSSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
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 (3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one?
The IUPAC name of (3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one (CID 131243627) is (3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one.
What is the SMILES notation for (3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one?
The canonical SMILES for (3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one is C/C=C/[C@H]1C[C@@H](O)C(=O)O1.
What is the InChIKey of (3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one?
The InChIKey is PDNYFRPSCSVMGD-KFBNRENSSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-3-5-4-6(8)7(9)10-5/h2-3,5-6,8H,4H2,1H3/b3-2+/t5-,6+/m0/s1.
What are the key properties of (3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one?
(3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-hydroxy-5-[(E)-prop-1-enyl]oxolan-2-one is sourced from PubChem (CID 131243627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).