ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate

C23H46O2SiSn — CID 134904819

IUPACethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate
SMILESC=C(C/C(=C/[Sn](CCCC)(CCCC)CCCC)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C11H19O2Si.3C4H9.Sn/c1-7-13-11(12)9(2)8-10(3)14(4,5)6;3*1-3-4-2;/h2H,3,7-8H2,1,4-6H3;3*1,3-4H2,2H3;
InChIKeyKTRYACIRTBNVOO-UHFFFAOYSA-N
MW501.42 g/mol
LogP7.69
Rot. Bonds15

About ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate

ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate (PubChem CID 134904819) has the molecular formula C23H46O2SiSn and a molecular weight of 501.42 g/mol. Its IUPAC name is ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate
PubChem CID134904819
Molecular FormulaC23H46O2SiSn
Molecular Weight501.42 g/mol
Exact Mass502.23
IUPAC Nameethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate
SMILESC=C(C/C(=C/[Sn](CCCC)(CCCC)CCCC)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C11H19O2Si.3C4H9.Sn/c1-7-13-11(12)9(2)8-10(3)14(4,5)6;3*1-3-4-2;/h2H,3,7-8H2,1,4-6H3;3*1,3-4H2,2H3;
InChIKeyKTRYACIRTBNVOO-UHFFFAOYSA-N
XLogP7.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.42
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-tributylstannylprop-2-enal
CID 173254861
diethyl 2-methylidenepropanedioate;mercury
CID 174815236
ethyl 3-(tributylstannylmethyl)but-3-enoate
CID 10982626
N-butylbutan-1-amine;ethyl 2-methylprop-2-enoate
CID 158486593
(Z)-2-iodo-3-tributylstannylprop-2-enoic acid
CID 139263815
ethyl 2-methylideneicosanoate
CID 22336431
1-O-ethyl 6-O-methyl 2-methylidene-4-pentylhexanedioate
CID 162408150
CID 175995571
CID 175995571
ethyl 2-(methoxymethylidene)butanoate
CID 71389545
diethyl (2Z)-2-ethylidenebutanedioate
CID 6377105
ethyl 2-(hydrazinecarbonyl)prop-2-enoate
CID 87480651
bis(ethyl 2-methylidenebutanoate);propanedioic acid
CID 87587562

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate?
The IUPAC name of ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate (CID 134904819) is ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate.
What is the SMILES notation for ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate?
The canonical SMILES for ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate is C=C(C/C(=C/[Sn](CCCC)(CCCC)CCCC)C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate?
The InChIKey is KTRYACIRTBNVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O2Si.3C4H9.Sn/c1-7-13-11(12)9(2)8-10(3)14(4,5)6;3*1-3-4-2;/h2H,3,7-8H2,1,4-6H3;3*1,3-4H2,2H3;.
What are the key properties of ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate?
ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate has a molecular weight of 501.42 g/mol, XLogP of 7.69, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate is sourced from PubChem (CID 134904819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).