(5R)-5-ethenyl-5-methyloxolan-2-one

C7H10O2 — CID 58003828

IUPAC(5R)-5-ethenyl-5-methyloxolan-2-one
SMILESC=C[C@@]1(C)CCC(=O)O1
InChIInChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3/t7-/m0/s1
InChIKeyQESPSAHXYXIGBG-ZETCQYMHSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds1

About (5R)-5-ethenyl-5-methyloxolan-2-one

(5R)-5-ethenyl-5-methyloxolan-2-one (PubChem CID 58003828) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (5R)-5-ethenyl-5-methyloxolan-2-one.

Molecular Properties

Compound Name(5R)-5-ethenyl-5-methyloxolan-2-one
PubChem CID58003828
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(5R)-5-ethenyl-5-methyloxolan-2-one
SMILESC=C[C@@]1(C)CCC(=O)O1
InChIInChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3/t7-/m0/s1
InChIKeyQESPSAHXYXIGBG-ZETCQYMHSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-HYDROXY-4-METHYL-5-HEXENOIC ACID gamma LACTONE
CID 102550
5,5-Dimethyl-3-methylenedihydrofuran-2-one
CID 12303374
(5S)-5beta-Vinyl-5-methyltetrahydrofuran-2-one
CID 11344024
gamma-Vinyl-gamma-methyl-alpha-methylene-gamma-butyrolactone
CID 14172019
(3S,5S)-5-ethenyl-3-methyloxolan-2-one
CID 129392322
3-Ethenylidene-5,5-dimethyloxolan-2-one
CID 134976971
(3R,5S)-5-ethenyl-3-methyloxolan-2-one
CID 134989208
5,5-Dimethyl-4-methylideneoxolan-2-one
CID 14910811
5-[(E)-hex-1-enyl]-5-methyloxolan-2-one
CID 22326205
3-Ethenyl-5,5-dimethyloxolan-2-one
CID 57994407
5-Ethenyl-3-methyloxolan-2-one
CID 58120398
CID 58813170
CID 58813170

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethenyl-5-methyloxolan-2-one?
The IUPAC name of (5R)-5-ethenyl-5-methyloxolan-2-one (CID 58003828) is (5R)-5-ethenyl-5-methyloxolan-2-one.
What is the SMILES notation for (5R)-5-ethenyl-5-methyloxolan-2-one?
The canonical SMILES for (5R)-5-ethenyl-5-methyloxolan-2-one is C=C[C@@]1(C)CCC(=O)O1.
What is the InChIKey of (5R)-5-ethenyl-5-methyloxolan-2-one?
The InChIKey is QESPSAHXYXIGBG-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3/t7-/m0/s1.
What are the key properties of (5R)-5-ethenyl-5-methyloxolan-2-one?
(5R)-5-ethenyl-5-methyloxolan-2-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethenyl-5-methyloxolan-2-one is sourced from PubChem (CID 58003828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).