dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate

C18H24O6Si — CID 101449757

IUPACdimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C=C1C(O[Si](C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C18H24O6Si/c1-21-13-9-7-12(8-10-13)15(24-25(4,5)6)14-11-18(14,16(19)22-2)17(20)23-3/h7-11,15H,1-6H3
InChIKeyLKGTURALAZHHJD-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.86
Rot. Bonds7

About dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate

dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate (PubChem CID 101449757) has the molecular formula C18H24O6Si and a molecular weight of 364.47 g/mol. Its IUPAC name is dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate
PubChem CID101449757
Molecular FormulaC18H24O6Si
Molecular Weight364.47 g/mol
Exact Mass364.13
IUPAC Namedimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C=C1C(O[Si](C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C18H24O6Si/c1-21-13-9-7-12(8-10-13)15(24-25(4,5)6)14-11-18(14,16(19)22-2)17(20)23-3/h7-11,15H,1-6H3
InChIKeyLKGTURALAZHHJD-UHFFFAOYSA-N
XLogP2.86
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-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

methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
CID 11066876
CID 88961149
CID 88961149
methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate
CID 134968785
methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate
CID 122377254
1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958932
methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116912762
2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065
[1-(4-methoxyphenyl)-3-methylbut-3-enoxy]-trimethylsilane
CID 89035107
dimethyl 2,5-bis(4-methoxyphenyl)-3,4-dioxohexanedioate
CID 11165893
methyl 2-bromo-2-(4-methoxyphenyl)acetate
CID 10753737
N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
CID 57246344
(1S,4R,5R)-1-[(4-methoxyphenyl)-trimethylsilyloxymethyl]-4-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-one
CID 101040019

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate (CID 101449757) is dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)C=C1C(O[Si](C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate?
The InChIKey is LKGTURALAZHHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6Si/c1-21-13-9-7-12(8-10-13)15(24-25(4,5)6)14-11-18(14,16(19)22-2)17(20)23-3/h7-11,15H,1-6H3.
What are the key properties of dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate?
dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate has a molecular weight of 364.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate is sourced from PubChem (CID 101449757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).