1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate

C16H18O4 — CID 118199261

IUPAC1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate
SMILESC=Cc1ccc(COC(=O)C2(C(=O)OC)CC2C)cc1
InChIInChI=1S/C16H18O4/c1-4-12-5-7-13(8-6-12)10-20-15(18)16(9-11(16)2)14(17)19-3/h4-8,11H,1,9-10H2,2-3H3
InChIKeyPKVYCXSOAUQIDR-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.57
Rot. Bonds5

About 1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate

1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate (PubChem CID 118199261) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Name1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate
PubChem CID118199261
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate
SMILESC=Cc1ccc(COC(=O)C2(C(=O)OC)CC2C)cc1
InChIInChI=1S/C16H18O4/c1-4-12-5-7-13(8-6-12)10-20-15(18)16(9-11(16)2)14(17)19-3/h4-8,11H,1,9-10H2,2-3H3
InChIKeyPKVYCXSOAUQIDR-UHFFFAOYSA-N
XLogP2.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O'-(furan-3-ylmethyl) 1-O-methyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 13137097
(4-ethenylphenyl)methyl cyclopentanecarboxylate
CID 175015138
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
bis[(4-ethenylphenyl)methyl] hexanedioate
CID 23558427
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
(4-ethenylphenyl)methyl 2,2-dimethylbutanoate
CID 20764938
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660
bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate
CID 164789063
(2S)-2-amino-4-[(4-ethenylphenyl)methoxy]-4-oxobutanoic acid
CID 102125035
(4-ethenylphenyl)methyl 2,3,3-trimethyl-2-propan-2-ylbutanoate
CID 89207567
(4-ethenylphenyl)methoxy-hydroxy-dimethoxysilane
CID 142669259
(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
CID 89090655

Frequently Asked Questions

What is the IUPAC name of 1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate?
The IUPAC name of 1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate (CID 118199261) is 1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for 1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for 1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate is C=Cc1ccc(COC(=O)C2(C(=O)OC)CC2C)cc1.
What is the InChIKey of 1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate?
The InChIKey is PKVYCXSOAUQIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-4-12-5-7-13(8-6-12)10-20-15(18)16(9-11(16)2)14(17)19-3/h4-8,11H,1,9-10H2,2-3H3.
What are the key properties of 1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate?
1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 118199261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).