trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate

C45H62GeO4Sn — CID 11366443

IUPACtrans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate
SMILESC=C([C@H]1CC(C(=O)OCC)(C(=O)OCC)C[C@@H]1C(=C)[Sn](CCCC)(CCCC)CCCC)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35GeO4.3C4H9.Sn/c1-5-26-23-33(31(35)37-6-2,32(36)38-7-3)24-30(26)25(4)34(27-17-11-8-12-18-27,28-19-13-9-14-20-28)29-21-15-10-16-22-29;3*1-3-4-2;/h8-22,26,30H,1,4,6-7,23-24H2,2-3H3;3*1,3-4H2,2H3;/t26-,30+;;;;/m0..../s1
InChIKeyZGGIJFWHCOJEFT-FNUXNBGMSA-N
MW858.31 g/mol
LogP9.34
Rot. Bonds20

About trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate

trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate (PubChem CID 11366443) has the molecular formula C45H62GeO4Sn and a molecular weight of 858.31 g/mol. Its IUPAC name is trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Nametrans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate
PubChem CID11366443
Molecular FormulaC45H62GeO4Sn
Molecular Weight858.31 g/mol
Exact Mass860.29
IUPAC Nametrans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate
SMILESC=C([C@H]1CC(C(=O)OCC)(C(=O)OCC)C[C@@H]1C(=C)[Sn](CCCC)(CCCC)CCCC)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35GeO4.3C4H9.Sn/c1-5-26-23-33(31(35)37-6-2,32(36)38-7-3)24-30(26)25(4)34(27-17-11-8-12-18-27,28-19-13-9-14-20-28)29-21-15-10-16-22-29;3*1-3-4-2;/h8-22,26,30H,1,4,6-7,23-24H2,2-3H3;3*1,3-4H2,2H3;/t26-,30+;;;;/m0..../s1
InChIKeyZGGIJFWHCOJEFT-FNUXNBGMSA-N
XLogP9.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.31
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-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

Frequently Asked Questions

What is the IUPAC name of trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate?
The IUPAC name of trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate (CID 11366443) is trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate is C=C([C@H]1CC(C(=O)OCC)(C(=O)OCC)C[C@@H]1C(=C)[Sn](CCCC)(CCCC)CCCC)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate?
The InChIKey is ZGGIJFWHCOJEFT-FNUXNBGMSA-N. The full InChI is InChI=1S/C33H35GeO4.3C4H9.Sn/c1-5-26-23-33(31(35)37-6-2,32(36)38-7-3)24-30(26)25(4)34(27-17-11-8-12-18-27,28-19-13-9-14-20-28)29-21-15-10-16-22-29;3*1-3-4-2;/h8-22,26,30H,1,4,6-7,23-24H2,2-3H3;3*1,3-4H2,2H3;/t26-,30+;;;;/m0..../s1.
What are the key properties of trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate?
trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate has a molecular weight of 858.31 g/mol, XLogP of 9.34, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11366443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).