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

C16H18O4 — CID 15348856

IUPACcis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)[C@H](C)[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C16H18O4/c1-11-13(10-9-12-7-5-4-6-8-12)16(11,14(17)19-2)15(18)20-3/h4-11,13H,1-3H3/b10-9+/t11-,13+/m1/s1
InChIKeyJTHBYNVJUKWWNV-FCSPZMLESA-N
MW274.32 g/mol
LogP2.30
Rot. Bonds4

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

cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate (PubChem CID 15348856) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate
PubChem CID15348856
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Namecis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)[C@H](C)[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C16H18O4/c1-11-13(10-9-12-7-5-4-6-8-12)16(11,14(17)19-2)15(18)20-3/h4-11,13H,1-3H3/b10-9+/t11-,13+/m1/s1
InChIKeyJTHBYNVJUKWWNV-FCSPZMLESA-N
XLogP2.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
CID 18624831
trans-diethyl (2S,3S)-2-ethyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate
CID 101382561
cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate
CID 123994231
dimethyl 4-[(E)-2-phenylethenyl]-3-prop-1-en-2-ylcyclopent-2-ene-1,1-dicarboxylate
CID 101420980
acetic acid;stilbene
CID 172803728
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
CID 142115956
dimethyl (3E)-3-benzylidene-4-methylcyclopentane-1,1-dicarboxylate
CID 11289206
methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate
CID 101411096
methyl (2R,3R)-3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]oxirane-2-carboxylate
CID 15503779
methyl (1R,1aR,6bR)-1-[(E)-2-phenylethenyl]-1a,6b-dihydrocyclopropa[b][1]benzofuran-1-carboxylate
CID 10708763
methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate
CID 102081874

Frequently Asked Questions

What is the IUPAC name of cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate?
The IUPAC name of cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate (CID 15348856) is cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate?
The canonical SMILES for cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)[C@H](C)[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate?
The InChIKey is JTHBYNVJUKWWNV-FCSPZMLESA-N. The full InChI is InChI=1S/C16H18O4/c1-11-13(10-9-12-7-5-4-6-8-12)16(11,14(17)19-2)15(18)20-3/h4-11,13H,1-3H3/b10-9+/t11-,13+/m1/s1.
What are the key properties of cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate?
cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.30, 4 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)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 15348856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).