cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate

C11H16O4 — CID 639276

IUPACcis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate
SMILESC/C=C/[C@H]1[C@@H](C)C1(C(=O)OC)C(=O)OC
InChIInChI=1S/C11H16O4/c1-5-6-8-7(2)11(8,9(12)14-3)10(13)15-4/h5-8H,1-4H3/b6-5+/t7-,8+/m1/s1
InChIKeyFKNMFVILAZHMBM-KTERXBQFSA-N
MW212.24 g/mol
LogP1.16
Rot. Bonds3

About cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate

cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate (PubChem CID 639276) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate
PubChem CID639276
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namecis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate
SMILESC/C=C/[C@H]1[C@@H](C)C1(C(=O)OC)C(=O)OC
InChIInChI=1S/C11H16O4/c1-5-6-8-7(2)11(8,9(12)14-3)10(13)15-4/h5-8H,1-4H3/b6-5+/t7-,8+/m1/s1
InChIKeyFKNMFVILAZHMBM-KTERXBQFSA-N
XLogP1.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate?
The IUPAC name of cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate (CID 639276) is cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate?
The canonical SMILES for cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate is C/C=C/[C@H]1[C@@H](C)C1(C(=O)OC)C(=O)OC.
What is the InChIKey of cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate?
The InChIKey is FKNMFVILAZHMBM-KTERXBQFSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-6-8-7(2)11(8,9(12)14-3)10(13)15-4/h5-8H,1-4H3/b6-5+/t7-,8+/m1/s1.
What are the key properties of cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate?
cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-dimethyl (2R,3S)-2-methyl-3-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 639276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).