dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate

C31H58O4SiSn — CID 10699334

IUPACdimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=C(CC(C)(C)C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Sn](CCCC)(CCCC)CCCC)[Si](C)(C)C
InChIInChI=1S/C19H31O4Si.3C4H9.Sn/c1-13-10-19(16(20)22-5,17(21)23-6)12-15(13)18(3,4)11-14(2)24(7,8)9;3*1-3-4-2;/h1,15H,2,10-12H2,3-9H3;3*1,3-4H2,2H3;
InChIKeyGQJGWBKAPVXFNZ-UHFFFAOYSA-N
MW641.60 g/mol
LogP8.89
Rot. Bonds16

About dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate

dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 10699334) has the molecular formula C31H58O4SiSn and a molecular weight of 641.60 g/mol. Its IUPAC name is dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID10699334
Molecular FormulaC31H58O4SiSn
Molecular Weight641.60 g/mol
Exact Mass642.31
IUPAC Namedimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=C(CC(C)(C)C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Sn](CCCC)(CCCC)CCCC)[Si](C)(C)C
InChIInChI=1S/C19H31O4Si.3C4H9.Sn/c1-13-10-19(16(20)22-5,17(21)23-6)12-15(13)18(3,4)11-14(2)24(7,8)9;3*1-3-4-2;/h1,15H,2,10-12H2,3-9H3;3*1,3-4H2,2H3;
InChIKeyGQJGWBKAPVXFNZ-UHFFFAOYSA-N
XLogP8.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.60
LogP ≤ 58.89
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'}

Analyze dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)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

Related Compounds

dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11786432
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686401
dimethyl 4-methyl-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 10735625
diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
CID 10992304
Dimethyl 3-methylidene-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 11791244
diethyl (1S,2R,6R,7Z,10Z)-5,5-di(propan-2-yl)-4-oxa-5-silatricyclo[9.3.0.02,6]tetradeca-7,10-diene-13,13-dicarboxylate
CID 101350464
dimethyl (4E)-3-prop-1-en-2-yl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101546111
Dimethyl 3-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 102311059
cis-dimethyl (2S,4R)-4-ethenyl-3-methylidene-2-pentylcyclopentane-1,1-dicarboxylate
CID 102368832
trans-diethyl (3R,4R)-3-(2-methoxy-2-oxoethyl)-4-(3-methylidenehept-1-en-2-yl)cyclopentane-1,1-dicarboxylate
CID 134947952
CID 135013547
CID 135013547
cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate
CID 135028109

Frequently Asked Questions

What is the IUPAC name of dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate (CID 10699334) is dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate is C=C(CC(C)(C)C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Sn](CCCC)(CCCC)CCCC)[Si](C)(C)C.
What is the InChIKey of dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is GQJGWBKAPVXFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31O4Si.3C4H9.Sn/c1-13-10-19(16(20)22-5,17(21)23-6)12-15(13)18(3,4)11-14(2)24(7,8)9;3*1-3-4-2;/h1,15H,2,10-12H2,3-9H3;3*1,3-4H2,2H3;.
What are the key properties of dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 641.60 g/mol, XLogP of 8.89, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10699334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).