(4R)-4-ethenyl-5,5-dimethyloxolan-2-one

C8H12O2 — CID 45113698

IUPAC(4R)-4-ethenyl-5,5-dimethyloxolan-2-one
SMILESC=C[C@H]1CC(=O)OC1(C)C
InChIInChI=1S/C8H12O2/c1-4-6-5-7(9)10-8(6,2)3/h4,6H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyDVQJVVLLMWPVOO-LURJTMIESA-N
MW140.18 g/mol
LogP1.51
Rot. Bonds1

About (4R)-4-ethenyl-5,5-dimethyloxolan-2-one

(4R)-4-ethenyl-5,5-dimethyloxolan-2-one (PubChem CID 45113698) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (4R)-4-ethenyl-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(4R)-4-ethenyl-5,5-dimethyloxolan-2-one
PubChem CID45113698
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(4R)-4-ethenyl-5,5-dimethyloxolan-2-one
SMILESC=C[C@H]1CC(=O)OC1(C)C
InChIInChI=1S/C8H12O2/c1-4-6-5-7(9)10-8(6,2)3/h4,6H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyDVQJVVLLMWPVOO-LURJTMIESA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.51
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

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CID 13999518
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CID 19826
4-(2,2-Dichlorovinyl)-4,5-dihydro-5,5-dimethyl-2(3H)-furanone
CID 5091449
2(3H)-Furanone, dihydro-5,5-dimethyl-4-(2-methyl-1-propenyl)-
CID 99999
(3aR,7aS)-3,3-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1-one
CID 11084247
5-Methyl-5-prop-2-enyloxolan-2-one
CID 11768655
Hept-5-ene-2,3-dicarboxylic anhydride
CID 54300175
(3R,4S,5R)-3-ethenyl-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-one
CID 167221229
3-Ethenyl-5-methyloxolan-2-one
CID 12326738
5,5-Bis(prop-2-enyl)oxolan-2-one
CID 10419541
5,5-dimethyl-4-[(E)-3-methylbut-1-enyl]oxolan-2-one
CID 121220913
5,5-Dimethyl-3-(prop-2-en-1-yl)oxolan-2-one
CID 129759213

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethenyl-5,5-dimethyloxolan-2-one?
The IUPAC name of (4R)-4-ethenyl-5,5-dimethyloxolan-2-one (CID 45113698) is (4R)-4-ethenyl-5,5-dimethyloxolan-2-one.
What is the SMILES notation for (4R)-4-ethenyl-5,5-dimethyloxolan-2-one?
The canonical SMILES for (4R)-4-ethenyl-5,5-dimethyloxolan-2-one is C=C[C@H]1CC(=O)OC1(C)C.
What is the InChIKey of (4R)-4-ethenyl-5,5-dimethyloxolan-2-one?
The InChIKey is DVQJVVLLMWPVOO-LURJTMIESA-N. The full InChI is InChI=1S/C8H12O2/c1-4-6-5-7(9)10-8(6,2)3/h4,6H,1,5H2,2-3H3/t6-/m0/s1.
What are the key properties of (4R)-4-ethenyl-5,5-dimethyloxolan-2-one?
(4R)-4-ethenyl-5,5-dimethyloxolan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethenyl-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 45113698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).