(3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione

C8H10O3 — CID 3085493

IUPAC(3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione
SMILESC=C(C)C[C@@H]1CC(=O)OC1=O
InChIInChI=1S/C8H10O3/c1-5(2)3-6-4-7(9)11-8(6)10/h6H,1,3-4H2,2H3/t6-/m1/s1
InChIKeyANPMHDUGFOMMJJ-ZCFIWIBFSA-N
MW154.16 g/mol
LogP1.04
Rot. Bonds2

About (3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione

(3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione (PubChem CID 3085493) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione
PubChem CID3085493
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione
SMILESC=C(C)C[C@@H]1CC(=O)OC1=O
InChIInChI=1S/C8H10O3/c1-5(2)3-6-4-7(9)11-8(6)10/h6H,1,3-4H2,2H3/t6-/m1/s1
InChIKeyANPMHDUGFOMMJJ-ZCFIWIBFSA-N
XLogP1.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-
CID 98496
4-Methyltetrahydrophthalic anhydride, cis-
CID 11953727
Methyl 3-methylidenecyclopentane-1-carboxylate
CID 557110
(2-Methyl-2-propenyl)succinic Anhydride
CID 225375
cis-1,2,3,6-Tetrahydro-4-methylphthalic anhydride
CID 74330
(S)-4-(4-methylpent-3-en-1-yl)butyrolactone
CID 12030665
(2-Ethylhexenyl)succinic anhydride
CID 6439550
3-(2-Neopentylallyl)tetrahydrofuran-2,5-dione
CID 2775293
3-(1-Ethyl-2-buten-1-yl)dihydro-2,5-furandione
CID 53772468
Methyl 2,4,5-trimethylhex-5-enoate
CID 134916431
3-Butyl-5-methylideneoxolan-2-one
CID 13351021
5,5-Dimethyl-3-(2-methylprop-2-en-1-yl)oxolan-2-one
CID 68140814

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione?
The IUPAC name of (3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione (CID 3085493) is (3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione.
What is the SMILES notation for (3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione?
The canonical SMILES for (3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione is C=C(C)C[C@@H]1CC(=O)OC1=O.
What is the InChIKey of (3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione?
The InChIKey is ANPMHDUGFOMMJJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10O3/c1-5(2)3-6-4-7(9)11-8(6)10/h6H,1,3-4H2,2H3/t6-/m1/s1.
What are the key properties of (3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione?
(3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione has a molecular weight of 154.16 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylprop-2-enyl)oxolane-2,5-dione is sourced from PubChem (CID 3085493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).