trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate

C30H56O4SiSn — CID 11377122

IUPACtrans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate
SMILESC=C([C@@H]1CC(C(=O)OCC)(C(=O)OCC)C[C@H]1C(=C)[Sn](CCCC)(CCCC)CCCC)[Si](C)(C)C
InChIInChI=1S/C18H29O4Si.3C4H9.Sn/c1-8-14-11-18(16(19)21-9-2,17(20)22-10-3)12-15(14)13(4)23(5,6)7;3*1-3-4-2;/h14-15H,1,4,9-12H2,2-3,5-7H3;3*1,3-4H2,2H3;/t14-,15+;;;;/m1..../s1
InChIKeyRUKOCVHHQRVMSB-ADTSQVCLSA-N
MW627.57 g/mol
LogP8.50
Rot. Bonds17

About trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate

trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate (PubChem CID 11377122) has the molecular formula C30H56O4SiSn and a molecular weight of 627.57 g/mol. Its IUPAC name is trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Nametrans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate
PubChem CID11377122
Molecular FormulaC30H56O4SiSn
Molecular Weight627.57 g/mol
Exact Mass628.30
IUPAC Nametrans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate
SMILESC=C([C@@H]1CC(C(=O)OCC)(C(=O)OCC)C[C@H]1C(=C)[Sn](CCCC)(CCCC)CCCC)[Si](C)(C)C
InChIInChI=1S/C18H29O4Si.3C4H9.Sn/c1-8-14-11-18(16(19)21-9-2,17(20)22-10-3)12-15(14)13(4)23(5,6)7;3*1-3-4-2;/h14-15H,1,4,9-12H2,2-3,5-7H3;3*1,3-4H2,2H3;/t14-,15+;;;;/m1..../s1
InChIKeyRUKOCVHHQRVMSB-ADTSQVCLSA-N
XLogP8.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.57
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate
CID 50901532
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11786432
Diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
CID 101154651
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686401
Diethyl 3-ethenyl-4-methylcyclopentane-1,1-dicarboxylate
CID 15039519
ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate
CID 15083410
dimethyl (4E)-3-prop-1-en-2-yl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101546111
cis-diethyl (3S,4R)-3-(1-tributylgermylethenyl)-4-(1-tributylstannylethenyl)cyclopentane-1,1-dicarboxylate
CID 134998675
Dimethyl 3-methylidene-4-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 135069171
CID 155936654
CID 155936654
cis-diethyl (2S,5S)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentane-1,1-dicarboxylate
CID 164685473
dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686402

Frequently Asked Questions

What is the IUPAC name of trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate?
The IUPAC name of trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate (CID 11377122) is trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)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)[Si](C)(C)C.
What is the InChIKey of trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate?
The InChIKey is RUKOCVHHQRVMSB-ADTSQVCLSA-N. The full InChI is InChI=1S/C18H29O4Si.3C4H9.Sn/c1-8-14-11-18(16(19)21-9-2,17(20)22-10-3)12-15(14)13(4)23(5,6)7;3*1-3-4-2;/h14-15H,1,4,9-12H2,2-3,5-7H3;3*1,3-4H2,2H3;/t14-,15+;;;;/m1..../s1.
What are the key properties of trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate?
trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate has a molecular weight of 627.57 g/mol, XLogP of 8.50, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11377122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).