methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate

C15H18O2 — CID 18624831

IUPACmethyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1C(/C=C/c2ccccc2)C1(C)C
InChIInChI=1S/C15H18O2/c1-15(2)12(13(15)14(16)17-3)10-9-11-7-5-4-6-8-11/h4-10,12-13H,1-3H3/b10-9+
InChIKeyVIMNPLWHPFATBD-MDZDMXLPSA-N
MW230.31 g/mol
LogP3.14
Rot. Bonds3

About methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate

methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate (PubChem CID 18624831) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
PubChem CID18624831
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namemethyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1C(/C=C/c2ccccc2)C1(C)C
InChIInChI=1S/C15H18O2/c1-15(2)12(13(15)14(16)17-3)10-9-11-7-5-4-6-8-11/h4-10,12-13H,1-3H3/b10-9+
InChIKeyVIMNPLWHPFATBD-MDZDMXLPSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,2-dimethyl-3-[(E)-3-phenylprop-1-enyl]cyclopropane-1-carboxylate
CID 23158606
cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate
CID 15348856
(Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid
CID 139635749
methyl 3-[(Z)-2-benzyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 23158586
trans-methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 7023133
cis-methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 10965156
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
cis-methyl (1S,3S)-3-(benzenesulfonyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 14692285
cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
CID 78324671
dimethyl (1R,2S,3R,4S,5R)-5-[(E)-2-phenylethenyl]-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11726828
trans-benzyl (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 139984141
trans-diethyl (2S,3S)-2-ethyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate
CID 101382561

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate (CID 18624831) is methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate is COC(=O)C1C(/C=C/c2ccccc2)C1(C)C.
What is the InChIKey of methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate?
The InChIKey is VIMNPLWHPFATBD-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H18O2/c1-15(2)12(13(15)14(16)17-3)10-9-11-7-5-4-6-8-11/h4-10,12-13H,1-3H3/b10-9+.
What are the key properties of methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate?
methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 18624831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).