methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate

C14H22O4Si — CID 12696063

IUPACmethyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCOC(=O)C1C(C2(C)CC2C(=O)OC)=C1[Si](C)(C)C
InChIInChI=1S/C14H22O4Si/c1-14(7-8(14)12(15)17-2)10-9(13(16)18-3)11(10)19(4,5)6/h8-9H,7H2,1-6H3
InChIKeySCGSZMHBQTUDPW-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.16
Rot. Bonds4

About methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate

methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate (PubChem CID 12696063) has the molecular formula C14H22O4Si and a molecular weight of 282.41 g/mol. Its IUPAC name is methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate
PubChem CID12696063
Molecular FormulaC14H22O4Si
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Namemethyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCOC(=O)C1C(C2(C)CC2C(=O)OC)=C1[Si](C)(C)C
InChIInChI=1S/C14H22O4Si/c1-14(7-8(14)12(15)17-2)10-9(13(16)18-3)11(10)19(4,5)6/h8-9H,7H2,1-6H3
InChIKeySCGSZMHBQTUDPW-UHFFFAOYSA-N
XLogP2.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The IUPAC name of methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate (CID 12696063) is methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate is COC(=O)C1C(C2(C)CC2C(=O)OC)=C1[Si](C)(C)C.
What is the InChIKey of methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The InChIKey is SCGSZMHBQTUDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4Si/c1-14(7-8(14)12(15)17-2)10-9(13(16)18-3)11(10)19(4,5)6/h8-9H,7H2,1-6H3.
What are the key properties of methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxycarbonyl-1-methylcyclopropyl)-3-trimethylsilylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 12696063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).