(5R,6S)-6-ethenyl-5-methoxyoxan-2-one

C8H12O3 — CID 14240055

IUPAC(5R,6S)-6-ethenyl-5-methoxyoxan-2-one
SMILESC=C[C@@H]1OC(=O)CC[C@H]1OC
InChIInChI=1S/C8H12O3/c1-3-6-7(10-2)4-5-8(9)11-6/h3,6-7H,1,4-5H2,2H3/t6-,7+/m0/s1
InChIKeyDRPSLUZMRKTBTK-NKWVEPMBSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About (5R,6S)-6-ethenyl-5-methoxyoxan-2-one

(5R,6S)-6-ethenyl-5-methoxyoxan-2-one (PubChem CID 14240055) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (5R,6S)-6-ethenyl-5-methoxyoxan-2-one.

Molecular Properties

Compound Name(5R,6S)-6-ethenyl-5-methoxyoxan-2-one
PubChem CID14240055
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(5R,6S)-6-ethenyl-5-methoxyoxan-2-one
SMILESC=C[C@@H]1OC(=O)CC[C@H]1OC
InChIInChI=1S/C8H12O3/c1-3-6-7(10-2)4-5-8(9)11-6/h3,6-7H,1,4-5H2,2H3/t6-,7+/m0/s1
InChIKeyDRPSLUZMRKTBTK-NKWVEPMBSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R,6S)-6-ethenyl-5-methoxyoxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Vinyltetrahydro-2H-pyran-2-one
CID 12633586
6-(Prop-2-enoxymethyl)oxan-2-one
CID 23093208
(6R)-6-ethenyloxan-2-one
CID 10942422
6-(1-Propenyl)-3,4,5,6-tetrahydro-5-hydroxy-4h-pyran-2-one
CID 137331602
Kyaqalgogipyeg-bdaknglrsa-
CID 44631405
Propyl 4,5-diacetyloxyhept-6-enoate
CID 57163892
5-(1-Ethoxyprop-2-enyl)oxolan-2-one
CID 68979925
5-(1-Pentoxyprop-2-enyl)oxolan-2-one
CID 70484637
(5S,6R)-5-hydroxy-6-[(Z)-prop-1-enyl]oxan-2-one
CID 166752514
6-Ethenyl-5-methylideneoxan-2-one
CID 11457728
(6S)-6-ethenyloxan-2-one
CID 11693908
[(2S,3R)-2-ethenyloxan-3-yl] acetate
CID 15518872

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-ethenyl-5-methoxyoxan-2-one?
The IUPAC name of (5R,6S)-6-ethenyl-5-methoxyoxan-2-one (CID 14240055) is (5R,6S)-6-ethenyl-5-methoxyoxan-2-one.
What is the SMILES notation for (5R,6S)-6-ethenyl-5-methoxyoxan-2-one?
The canonical SMILES for (5R,6S)-6-ethenyl-5-methoxyoxan-2-one is C=C[C@@H]1OC(=O)CC[C@H]1OC.
What is the InChIKey of (5R,6S)-6-ethenyl-5-methoxyoxan-2-one?
The InChIKey is DRPSLUZMRKTBTK-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-6-7(10-2)4-5-8(9)11-6/h3,6-7H,1,4-5H2,2H3/t6-,7+/m0/s1.
What are the key properties of (5R,6S)-6-ethenyl-5-methoxyoxan-2-one?
(5R,6S)-6-ethenyl-5-methoxyoxan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-ethenyl-5-methoxyoxan-2-one is sourced from PubChem (CID 14240055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).