1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate

C11H14O4 — CID 11745884

IUPAC1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESC=CCOC(=O)C1=C(C(=O)OC)C1(C)C
InChIInChI=1S/C11H14O4/c1-5-6-15-10(13)8-7(9(12)14-4)11(8,2)3/h5H,1,6H2,2-4H3
InChIKeyJCGYNMALGQBJLO-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.23
Rot. Bonds4

About 1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate

1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate (PubChem CID 11745884) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
PubChem CID11745884
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESC=CCOC(=O)C1=C(C(=O)OC)C1(C)C
InChIInChI=1S/C11H14O4/c1-5-6-15-10(13)8-7(9(12)14-4)11(8,2)3/h5H,1,6H2,2-4H3
InChIKeyJCGYNMALGQBJLO-UHFFFAOYSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4R)-3-ethylidene-2-oxooxan-4-yl]acetate
CID 162989246
1-Cyclopropene-1,2-dicarboxylic acid, 3,3-dimethyl-, dimethyl ester
CID 11816262
(3-Ethylidene-2-oxotetrahydropyran-4-yl)-acetic acid methyl ester
CID 74832966
Bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 102305684
Bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10956648
Dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11746732
Ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 15189596
Diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 86198726
ethyl 3-(5-oxo-2H-furan-4-yl)propanoate
CID 14441089
1-O-ethyl 7-O-methyl (E)-5,5-dimethylhept-2-enedioate
CID 140620850
Diethyl 3-ethyl-2-prop-2-enylidenepentanedioate
CID 151155273
ethyl 3,3-dimethylpentanoate;ethyl (Z)-3-methylpent-2-enoate
CID 158017782

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The IUPAC name of 1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate (CID 11745884) is 1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate.
What is the SMILES notation for 1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The canonical SMILES for 1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate is C=CCOC(=O)C1=C(C(=O)OC)C1(C)C.
What is the InChIKey of 1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The InChIKey is JCGYNMALGQBJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-5-6-15-10(13)8-7(9(12)14-4)11(8,2)3/h5H,1,6H2,2-4H3.
What are the key properties of 1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate is sourced from PubChem (CID 11745884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).