methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate

C15H18O2 — CID 101184247

IUPACmethyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate
SMILESCOC(=O)C1/C(=C(\C)c2ccccc2)C1(C)C
InChIInChI=1S/C15H18O2/c1-10(11-8-6-5-7-9-11)12-13(14(16)17-4)15(12,2)3/h5-9,13H,1-4H3/b12-10-
InChIKeyWYVCPKPLTLMALV-BENRWUELSA-N
MW230.31 g/mol
LogP3.29
Rot. Bonds2

About methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate

methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate (PubChem CID 101184247) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate
PubChem CID101184247
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namemethyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate
SMILESCOC(=O)C1/C(=C(\C)c2ccccc2)C1(C)C
InChIInChI=1S/C15H18O2/c1-10(11-8-6-5-7-9-11)12-13(14(16)17-4)15(12,2)3/h5-9,13H,1-4H3/b12-10-
InChIKeyWYVCPKPLTLMALV-BENRWUELSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (5E)-3,3-dimethyl-5-(1-phenylethylidene)-4H-pyrazole-4-carboxylate
CID 101184246
cis-methyl (1S,2R)-2-ethyl-2-phenyl-3-propan-2-ylidenecyclopropane-1-carboxylate
CID 101163595
cis-methyl (1S,3S)-3-(benzenesulfonyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 14692285
tetramethyl 3a-methyl-2,5-dioxo-6a-phenyl-1,3,4,6-tetrahydropentalene-1,3,4,6-tetracarboxylate
CID 10647641
methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate
CID 45089915
3-methoxy-2,3-diphenylprop-2-enoic acid
CID 69030930
(3-methoxy-2,2,4,4-tetramethylcyclobutyl) benzoate
CID 118321450
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
dimethyl (1S,2R)-3,6-diphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 10665399
methyl (2S,3R,4S,5R)-4,5-bis(hydroxymethyl)-5-methyl-3-phenylpyrrolidine-2-carboxylate
CID 101014176

Frequently Asked Questions

What is the IUPAC name of methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate?
The IUPAC name of methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate (CID 101184247) is methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate?
The canonical SMILES for methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate is COC(=O)C1/C(=C(\C)c2ccccc2)C1(C)C.
What is the InChIKey of methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate?
The InChIKey is WYVCPKPLTLMALV-BENRWUELSA-N. The full InChI is InChI=1S/C15H18O2/c1-10(11-8-6-5-7-9-11)12-13(14(16)17-4)15(12,2)3/h5-9,13H,1-4H3/b12-10-.
What are the key properties of methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate?
methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3E)-2,2-dimethyl-3-(1-phenylethylidene)cyclopropane-1-carboxylate is sourced from PubChem (CID 101184247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).