tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate

C31H48O11Si — CID 10770227

IUPACtetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate
SMILESC=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(CC(=C)CC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C31H48O11Si/c1-13-31(42-43(11,12)28(3,4)5)20-30(31,27(36)41-10)17-15-14-16-29(25(34)39-8,26(35)40-9)19-21(2)18-22(23(32)37-6)24(33)38-7/h13-15,22H,1-2,16-20H2,3-12H3/b15-14+
InChIKeyCVUFDYJPQWNBCM-CCEZHUSRSA-N
MW624.80 g/mol
LogP4.46
Rot. Bonds16

About tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate

tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate (PubChem CID 10770227) has the molecular formula C31H48O11Si and a molecular weight of 624.80 g/mol. Its IUPAC name is tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate
PubChem CID10770227
Molecular FormulaC31H48O11Si
Molecular Weight624.80 g/mol
Exact Mass624.30
IUPAC Nametetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate
SMILESC=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(CC(=C)CC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C31H48O11Si/c1-13-31(42-43(11,12)28(3,4)5)20-30(31,27(36)41-10)17-15-14-16-29(25(34)39-8,26(35)40-9)19-21(2)18-22(23(32)37-6)24(33)38-7/h13-15,22H,1-2,16-20H2,3-12H3/b15-14+
InChIKeyCVUFDYJPQWNBCM-CCEZHUSRSA-N
XLogP4.46
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.80
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate?
The IUPAC name of tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate (CID 10770227) is tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate.
What is the SMILES notation for tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate?
The canonical SMILES for tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate is C=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(CC(=C)CC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC.
What is the InChIKey of tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate?
The InChIKey is CVUFDYJPQWNBCM-CCEZHUSRSA-N. The full InChI is InChI=1S/C31H48O11Si/c1-13-31(42-43(11,12)28(3,4)5)20-30(31,27(36)41-10)17-15-14-16-29(25(34)39-8,26(35)40-9)19-21(2)18-22(23(32)37-6)24(33)38-7/h13-15,22H,1-2,16-20H2,3-12H3/b15-14+.
What are the key properties of tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate?
tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate has a molecular weight of 624.80 g/mol, XLogP of 4.46, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl (E)-9-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]-3-methylidenenon-7-ene-1,1,5,5-tetracarboxylate is sourced from PubChem (CID 10770227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).