bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate

C25H40O5Si2 — CID 162888272

IUPACbis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate
SMILESC=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C=O)CCC[C@@H](C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C
InChIInChI=1S/C25H40O5Si2/c1-16-13-25-14-17(16)10-11-19(25)24(15-26)12-8-9-18(22(27)29-31(2,3)4)20(24)21(25)23(28)30-32(5,6)7/h15,17-21H,1,8-14H2,2-7H3/t17-,18-,19-,20+,21-,24-,25+/m1/s1
InChIKeyFYBDWRRBWHRIAY-CZIXYAIYSA-N
MW476.76 g/mol
LogP5.34
Rot. Bonds5

About bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate

bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate (PubChem CID 162888272) has the molecular formula C25H40O5Si2 and a molecular weight of 476.76 g/mol. Its IUPAC name is bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate.

Molecular Properties

Compound Namebis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate
PubChem CID162888272
Molecular FormulaC25H40O5Si2
Molecular Weight476.76 g/mol
Exact Mass476.24
IUPAC Namebis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate
SMILESC=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C=O)CCC[C@@H](C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C
InChIInChI=1S/C25H40O5Si2/c1-16-13-25-14-17(16)10-11-19(25)24(15-26)12-8-9-18(22(27)29-31(2,3)4)20(24)21(25)23(28)30-32(5,6)7/h15,17-21H,1,8-14H2,2-7H3/t17-,18-,19-,20+,21-,24-,25+/m1/s1
InChIKeyFYBDWRRBWHRIAY-CZIXYAIYSA-N
XLogP5.34
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.76
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate 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 bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate?
The IUPAC name of bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate (CID 162888272) is bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate.
What is the SMILES notation for bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate?
The canonical SMILES for bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate is C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C=O)CCC[C@@H](C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate?
The InChIKey is FYBDWRRBWHRIAY-CZIXYAIYSA-N. The full InChI is InChI=1S/C25H40O5Si2/c1-16-13-25-14-17(16)10-11-19(25)24(15-26)12-8-9-18(22(27)29-31(2,3)4)20(24)21(25)23(28)30-32(5,6)7/h15,17-21H,1,8-14H2,2-7H3/t17-,18-,19-,20+,21-,24-,25+/m1/s1.
What are the key properties of bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate?
bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate has a molecular weight of 476.76 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (1R,2S,3S,4R,8S,9S,12R)-8-formyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate is sourced from PubChem (CID 162888272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).