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

C20H38O2Sn — CID 134904857

IUPACethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate
SMILESC=CC/C(=C/[Sn](CCCC)(CCCC)CCCC)C(=O)OCC
InChIInChI=1S/C8H11O2.3C4H9.Sn/c1-4-6-7(3)8(9)10-5-2;3*1-3-4-2;/h3-4H,1,5-6H2,2H3;3*1,3-4H2,2H3;
InChIKeyCVBAPVQASLAKDQ-UHFFFAOYSA-N
MW429.23 g/mol
LogP6.44
Rot. Bonds14

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

ethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate (PubChem CID 134904857) has the molecular formula C20H38O2Sn and a molecular weight of 429.23 g/mol. Its IUPAC name is ethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate.

Molecular Properties

Compound Nameethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate
PubChem CID134904857
Molecular FormulaC20H38O2Sn
Molecular Weight429.23 g/mol
Exact Mass430.19
IUPAC Nameethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate
SMILESC=CC/C(=C/[Sn](CCCC)(CCCC)CCCC)C(=O)OCC
InChIInChI=1S/C8H11O2.3C4H9.Sn/c1-4-6-7(3)8(9)10-5-2;3*1-3-4-2;/h3-4H,1,5-6H2,2H3;3*1,3-4H2,2H3;
InChIKeyCVBAPVQASLAKDQ-UHFFFAOYSA-N
XLogP6.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.23
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate?
The IUPAC name of ethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate (CID 134904857) is ethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate.
What is the SMILES notation for ethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate?
The canonical SMILES for ethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate is C=CC/C(=C/[Sn](CCCC)(CCCC)CCCC)C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate?
The InChIKey is CVBAPVQASLAKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2.3C4H9.Sn/c1-4-6-7(3)8(9)10-5-2;3*1-3-4-2;/h3-4H,1,5-6H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of ethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate?
ethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate has a molecular weight of 429.23 g/mol, XLogP of 6.44, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(tributylstannylmethylidene)pent-4-enoate is sourced from PubChem (CID 134904857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).