cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C11H16O2 — CID 134855021

IUPACcis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESC=C[C@H]1C(C=C(C)C)[C@@H]1C(=O)OC
InChIInChI=1S/C11H16O2/c1-5-8-9(6-7(2)3)10(8)11(12)13-4/h5-6,8-10H,1H2,2-4H3/t8-,9?,10+/m0/s1
InChIKeyRISZUIJPULOBIY-DJBFQZMMSA-N
MW180.25 g/mol
LogP2.17
Rot. Bonds3

About cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 134855021) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID134855021
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namecis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESC=C[C@H]1C(C=C(C)C)[C@@H]1C(=O)OC
InChIInChI=1S/C11H16O2/c1-5-8-9(6-7(2)3)10(8)11(12)13-4/h5-6,8-10H,1H2,2-4H3/t8-,9?,10+/m0/s1
InChIKeyRISZUIJPULOBIY-DJBFQZMMSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.17
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

dimethyl 3-(2-methylprop-1-enyl)cyclopropane-1,2-dicarboxylate
CID 564431
methyl (1S,2R,3S)-2-ethenyl-3-prop-1-en-2-ylcyclopropane-1-carboxylate
CID 102399635
methyl (1S,2S,3S)-2-(cyclopenten-1-yl)-3-ethenylcyclopropane-1-carboxylate
CID 102145096
dimethyl 5-ethenylbicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 67802456
cis-methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 10965156
methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907
dimethyl 2,5-dihydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-dicarboxylate
CID 15040134
[2,4-dimethyl-3-(2-methylprop-1-enyl)cyclobutyl]hydrazine
CID 67559784
dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate
CID 66957945
methyl 1-(2-methylprop-1-enyl)spiro[2.3]hexane-2-carboxylate
CID 118643024
dimethyl 4-[(1E)-4-methylpenta-1,3-dienyl]-2-(2-methylprop-1-enyl)-6-oxocyclohex-4-ene-1,3-dicarboxylate
CID 11313994

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 134855021) is cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is C=C[C@H]1C(C=C(C)C)[C@@H]1C(=O)OC.
What is the InChIKey of cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is RISZUIJPULOBIY-DJBFQZMMSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-8-9(6-7(2)3)10(8)11(12)13-4/h5-6,8-10H,1H2,2-4H3/t8-,9?,10+/m0/s1.
What are the key properties of cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 180.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-ethenyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 134855021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).