(3R)-3-ethenoxy-4,4-dimethyloxolan-2-one

C8H12O3 — CID 11116295

IUPAC(3R)-3-ethenoxy-4,4-dimethyloxolan-2-one
SMILESC=CO[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C8H12O3/c1-4-10-6-7(9)11-5-8(6,2)3/h4,6H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyMSZKOXUHBOFXSO-LURJTMIESA-N
MW156.18 g/mol
LogP1.10
Rot. Bonds2

About (3R)-3-ethenoxy-4,4-dimethyloxolan-2-one

(3R)-3-ethenoxy-4,4-dimethyloxolan-2-one (PubChem CID 11116295) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3R)-3-ethenoxy-4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-ethenoxy-4,4-dimethyloxolan-2-one
PubChem CID11116295
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3R)-3-ethenoxy-4,4-dimethyloxolan-2-one
SMILESC=CO[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C8H12O3/c1-4-10-6-7(9)11-5-8(6,2)3/h4,6H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyMSZKOXUHBOFXSO-LURJTMIESA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

0-Acetylpantolactone
CID 193092
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] butanoate
CID 13848056
(3R)-3-Methoxy-4,4-dimethyloxolan-2-one
CID 13407496
(3S)-3-methoxy-4,4-dimethyloxolan-2-one
CID 13407497
[(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-oxoacetate
CID 135086566
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate
CID 12013542
[(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate
CID 102572845
2(3H)-Furanone, dihydro-4,4-dimethyl-3-(2-propenyloxy)-
CID 11528420
Mszkoxuhbofxso-uhfffaoysa-
CID 21572883
(4,4-Dimethyl-2-oxooxolan-3-yl) acetate
CID 10313312
2(3H)-Furanone, 3-(acetyloxy)dihydro-4,4-dimethyl-, (S)-
CID 11829913
3-Methoxy-4,4-dimethyloxolan-2-one
CID 13407495

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethenoxy-4,4-dimethyloxolan-2-one?
The IUPAC name of (3R)-3-ethenoxy-4,4-dimethyloxolan-2-one (CID 11116295) is (3R)-3-ethenoxy-4,4-dimethyloxolan-2-one.
What is the SMILES notation for (3R)-3-ethenoxy-4,4-dimethyloxolan-2-one?
The canonical SMILES for (3R)-3-ethenoxy-4,4-dimethyloxolan-2-one is C=CO[C@H]1C(=O)OCC1(C)C.
What is the InChIKey of (3R)-3-ethenoxy-4,4-dimethyloxolan-2-one?
The InChIKey is MSZKOXUHBOFXSO-LURJTMIESA-N. The full InChI is InChI=1S/C8H12O3/c1-4-10-6-7(9)11-5-8(6,2)3/h4,6H,1,5H2,2-3H3/t6-/m0/s1.
What are the key properties of (3R)-3-ethenoxy-4,4-dimethyloxolan-2-one?
(3R)-3-ethenoxy-4,4-dimethyloxolan-2-one has a molecular weight of 156.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethenoxy-4,4-dimethyloxolan-2-one is sourced from PubChem (CID 11116295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).