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

Prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate
CID 44817642
ethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate
CID 134904857
Ethyl (z)-3-ethoxy-2-((triisopropylsilyl)methylene)butanoate
CID 164666861
Ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate
CID 14117245
3-Tri(propan-2-yl)silylpropyl 2-methylprop-2-enoate
CID 18004236
Bis(1-tripropylsilylpropyl) 2-methylidenebutanedioate
CID 19063336
Methyl 4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl-bis(trimethylsilyloxy)silyl]oxysilyl]butanoate
CID 20451740
2-[Dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate
CID 21432018
3-[Dibutoxy(ethyl)silyl]propyl 2-methylprop-2-enoate
CID 21432026
3-[Dibutoxy(propyl)silyl]propyl 2-methylprop-2-enoate
CID 21432069
3-[Dibutoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]propyl 2-methylprop-2-enoate
CID 21463885
CID 22280285
CID 22280285

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).