carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate

C8H12O5 — CID 66957945

IUPACcarbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate
SMILESC=CC1CC1C(=O)OC.O=C(O)O
InChIInChI=1S/C7H10O2.CH2O3/c1-3-5-4-6(5)7(8)9-2;2-1(3)4/h3,5-6H,1,4H2,2H3;(H2,2,3,4)
InChIKeyMVBQNJBSYDBXLX-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.20
Rot. Bonds2

About carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate

carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate (PubChem CID 66957945) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecarbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate
PubChem CID66957945
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Namecarbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate
SMILESC=CC1CC1C(=O)OC.O=C(O)O
InChIInChI=1S/C7H10O2.CH2O3/c1-3-5-4-6(5)7(8)9-2;2-1(3)4/h3,5-6H,1,4H2,2H3;(H2,2,3,4)
InChIKeyMVBQNJBSYDBXLX-UHFFFAOYSA-N
XLogP1.20
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907
tert-butyl 2-ethenylcyclopropane-1-carboxylate
CID 14140138
amino 2-ethenylcyclopropane-1-carboxylate
CID 18621557
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
trans-[(2-methylpropan-2-yl)oxycarbonylamino] (1S,2S)-2-ethenylcyclopropane-1-carboxylate
CID 175137110
trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane
CID 67558410
2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide
CID 142833508
dimethyl 5-ethenylbicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 67802456
methyl 2-formylcyclobutane-1-carboxylate
CID 12721333
cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate
CID 93496244
methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate
CID 174450373

Frequently Asked Questions

What is the IUPAC name of carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate?
The IUPAC name of carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate (CID 66957945) is carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate is C=CC1CC1C(=O)OC.O=C(O)O.
What is the InChIKey of carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate?
The InChIKey is MVBQNJBSYDBXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.CH2O3/c1-3-5-4-6(5)7(8)9-2;2-1(3)4/h3,5-6H,1,4H2,2H3;(H2,2,3,4).
What are the key properties of carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate?
carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate has a molecular weight of 188.18 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 66957945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).