(3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one

C10H14O2 — CID 67854561

IUPAC(3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one
SMILESC=CC[C@@H]1C[C@H](CC=C)C(=O)O1
InChIInChI=1S/C10H14O2/c1-3-5-8-7-9(6-4-2)12-10(8)11/h3-4,8-9H,1-2,5-7H2/t8-,9+/m0/s1
InChIKeyGYTLKSBJQLEQMG-DTWKUNHWSA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds4

About (3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one

(3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one (PubChem CID 67854561) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one
PubChem CID67854561
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one
SMILESC=CC[C@@H]1C[C@H](CC=C)C(=O)O1
InChIInChI=1S/C10H14O2/c1-3-5-8-7-9(6-4-2)12-10(8)11/h3-4,8-9H,1-2,5-7H2/t8-,9+/m0/s1
InChIKeyGYTLKSBJQLEQMG-DTWKUNHWSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one?
The IUPAC name of (3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one (CID 67854561) is (3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one.
What is the SMILES notation for (3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one?
The canonical SMILES for (3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one is C=CC[C@@H]1C[C@H](CC=C)C(=O)O1.
What is the InChIKey of (3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one?
The InChIKey is GYTLKSBJQLEQMG-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-5-8-7-9(6-4-2)12-10(8)11/h3-4,8-9H,1-2,5-7H2/t8-,9+/m0/s1.
What are the key properties of (3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one?
(3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-bis(prop-2-enyl)oxolan-2-one is sourced from PubChem (CID 67854561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).