cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate

C39H74GeO4Sn — CID 134998675

IUPACcis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)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](CCCC)(CCCC)CCCC
InChIInChI=1S/C27H47GeO4.3C4H9.Sn/c1-8-14-17-28(18-15-9-2,19-16-10-3)22(7)24-21-27(20-23(24)11-4,25(29)31-12-5)26(30)32-13-6;3*1-3-4-2;/h23-24H,4,7-10,12-21H2,1-3,5-6H3;3*1,3-4H2,2H3;/t23-,24-;;;;/m1..../s1
InChIKeyFLQQWZCUORYPCC-PIJQHSLXSA-N
MW798.34 g/mol
LogP12.01
Rot. Bonds26

About cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate

cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate (PubChem CID 134998675) has the molecular formula C39H74GeO4Sn and a molecular weight of 798.34 g/mol. Its IUPAC name is cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namecis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate
PubChem CID134998675
Molecular FormulaC39H74GeO4Sn
Molecular Weight798.34 g/mol
Exact Mass800.38
IUPAC Namecis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)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](CCCC)(CCCC)CCCC
InChIInChI=1S/C27H47GeO4.3C4H9.Sn/c1-8-14-17-28(18-15-9-2,19-16-10-3)22(7)24-21-27(20-23(24)11-4,25(29)31-12-5)26(30)32-13-6;3*1-3-4-2;/h23-24H,4,7-10,12-21H2,1-3,5-6H3;3*1,3-4H2,2H3;/t23-,24-;;;;/m1..../s1
InChIKeyFLQQWZCUORYPCC-PIJQHSLXSA-N
XLogP12.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.34
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-Cyclopentanedicarboxylic acid, 3-methyl-4-methylene-, diethyl ester
CID 11053770
dimethyl (4Z)-3-ethenyl-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 176421935
diethyl (3aS,4Z,8Z,9aR)-1,3,3a,6,7,9a-hexahydrocyclopenta[8]annulene-2,2-dicarboxylate
CID 13808143
Diethyl 3-ethenyl-4-methylcyclopentane-1,1-dicarboxylate
CID 15039519
diethyl (3E)-3-(butylselanylmethylidene)-4-propan-2-ylcyclopentane-1,1-dicarboxylate
CID 15733855
cis-diethyl (3S,4R)-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 101897662
diethyl (3S)-3-methyl-4-methylidenecyclopentane-1,1-dicarboxylate
CID 122389284
trans-dimethyl (3R,4R)-3,4-bis(ethenyl)cyclopentane-1,1-dicarboxylate
CID 134900579
cis-dimethyl (3S,4R)-3,4-bis(ethenyl)cyclopentane-1,1-dicarboxylate
CID 134900616
trans-diethyl (3R,4R)-3-(2-methoxy-2-oxoethyl)-4-(3-methylidenehept-1-en-2-yl)cyclopentane-1,1-dicarboxylate
CID 134947952
diethyl (4S)-3,3-dimethyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 138965404
diethyl (3aS,4Z,8Z,9aS)-1,3,3a,6,7,9a-hexahydrocyclopenta[8]annulene-2,2-dicarboxylate
CID 139250255

Frequently Asked Questions

What is the IUPAC name of cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate?
The IUPAC name of cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate (CID 134998675) is cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)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](CCCC)(CCCC)CCCC.
What is the InChIKey of cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate?
The InChIKey is FLQQWZCUORYPCC-PIJQHSLXSA-N. The full InChI is InChI=1S/C27H47GeO4.3C4H9.Sn/c1-8-14-17-28(18-15-9-2,19-16-10-3)22(7)24-21-27(20-23(24)11-4,25(29)31-12-5)26(30)32-13-6;3*1-3-4-2;/h23-24H,4,7-10,12-21H2,1-3,5-6H3;3*1,3-4H2,2H3;/t23-,24-;;;;/m1..../s1.
What are the key properties of cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate?
cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate has a molecular weight of 798.34 g/mol, XLogP of 12.01, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 134998675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).