1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate

C21H32O4Si — CID 101387645

IUPAC1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)O[Si](C(C)C)(C(C)C)C(C)C)CC1c1ccccc1
InChIInChI=1S/C21H32O4Si/c1-14(2)26(15(3)4,16(5)6)25-20(23)21(19(22)24-7)13-18(21)17-11-9-8-10-12-17/h8-12,14-16,18H,13H2,1-7H3
InChIKeyIMJSUVIIJZRQLO-UHFFFAOYSA-N
MW376.57 g/mol
LogP5.05
Rot. Bonds7

About 1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate

1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate (PubChem CID 101387645) has the molecular formula C21H32O4Si and a molecular weight of 376.57 g/mol. Its IUPAC name is 1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Name1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate
PubChem CID101387645
Molecular FormulaC21H32O4Si
Molecular Weight376.57 g/mol
Exact Mass376.21
IUPAC Name1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)O[Si](C(C)C)(C(C)C)C(C)C)CC1c1ccccc1
InChIInChI=1S/C21H32O4Si/c1-14(2)26(15(3)4,16(5)6)25-20(23)21(19(22)24-7)13-18(21)17-11-9-8-10-12-17/h8-12,14-16,18H,13H2,1-7H3
InChIKeyIMJSUVIIJZRQLO-UHFFFAOYSA-N
XLogP5.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-methyl (1S,2S)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557657
methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate
CID 102264441
trans-methyl (1S,2R)-2-phenyl-1-tri(propan-2-yl)silylcyclopropane-1-carboxylate
CID 102019751
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 132540324
cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate
CID 44557655
cis-dimethyl (2R,3S)-2-deuterio-3-phenylcyclopropane-1,1-dicarboxylate
CID 24752248
trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 44612781
dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate
CID 101377661
methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102133366
dipropyl (2S)-2-phenylcyclopropane-1,1-dicarboxylate
CID 169410245
dimethyl 2-[2-(2-phenylethynyl)phenyl]cyclopropane-1,1-dicarboxylate
CID 135028383
dimethyl 2-naphthalen-1-ylcyclopropane-1,1-dicarboxylate
CID 132540327

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate?
The IUPAC name of 1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate (CID 101387645) is 1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for 1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for 1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate is COC(=O)C1(C(=O)O[Si](C(C)C)(C(C)C)C(C)C)CC1c1ccccc1.
What is the InChIKey of 1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate?
The InChIKey is IMJSUVIIJZRQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O4Si/c1-14(2)26(15(3)4,16(5)6)25-20(23)21(19(22)24-7)13-18(21)17-11-9-8-10-12-17/h8-12,14-16,18H,13H2,1-7H3.
What are the key properties of 1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate?
1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate has a molecular weight of 376.57 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 101387645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).