ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate

C20H20O2 — CID 14347536

IUPACethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate
SMILESCCOC(=O)/C=C/C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O2/c1-2-22-19(21)14-13-18-15-20(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,18H,2,15H2,1H3/b14-13+
InChIKeyKMDHEOWYZAMNNZ-BUHFOSPRSA-N
MW292.38 g/mol
LogP4.11
Rot. Bonds5

About ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate

ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate (PubChem CID 14347536) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate
PubChem CID14347536
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Nameethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate
SMILESCCOC(=O)/C=C/C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O2/c1-2-22-19(21)14-13-18-15-20(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,18H,2,15H2,1H3/b14-13+
InChIKeyKMDHEOWYZAMNNZ-BUHFOSPRSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoate
CID 14347535
ethyl (E)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoate
CID 14347534
(E)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoic acid
CID 14347540
ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate
CID 118364434
CID 101241031
CID 101241031
diethyl 2-[(2,2-diphenylcyclopropyl)methylidene]pentanedioate
CID 91298781
CID 101241030
CID 101241030
ethyl (E)-3-(1-phenylaziridin-2-yl)prop-2-enoate
CID 101355177
ethyl 3-(4-oxo-1-phenylcyclohexyl)prop-2-enoate
CID 54379708
ethyl (E)-3-[(2R,3R)-3-phenylaziridin-2-yl]prop-2-enoate
CID 102171774
ethyl (E)-3-(1-tritylaziridin-2-yl)prop-2-enoate
CID 11292027
diethyl (2E)-2-[(2,2-diphenylcyclopropyl)methylidene]-4-phenylselanylpentanedioate
CID 101241022

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate (CID 14347536) is ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate is CCOC(=O)/C=C/C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate?
The InChIKey is KMDHEOWYZAMNNZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H20O2/c1-2-22-19(21)14-13-18-15-20(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,18H,2,15H2,1H3/b14-13+.
What are the key properties of ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate?
ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate has a molecular weight of 292.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate is sourced from PubChem (CID 14347536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).