ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate

C13H27ClO2Sn2 — CID 10672626

IUPACethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate
SMILESCCOC(=O)/C(=C(/CCCl)[Sn](C)(C)C)[Sn](C)(C)C
InChIInChI=1S/C7H9ClO2.6CH3.2Sn/c1-2-10-7(9)5-3-4-6-8;;;;;;;;/h2,4,6H2,1H3;6*1H3;;
InChIKeyLKYLFXVYTWUYDG-UHFFFAOYSA-N
MW488.23 g/mol
LogP4.23
Rot. Bonds6

About ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate

ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate (PubChem CID 10672626) has the molecular formula C13H27ClO2Sn2 and a molecular weight of 488.23 g/mol. Its IUPAC name is ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate
PubChem CID10672626
Molecular FormulaC13H27ClO2Sn2
Molecular Weight488.23 g/mol
Exact Mass489.97
IUPAC Nameethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate
SMILESCCOC(=O)/C(=C(/CCCl)[Sn](C)(C)C)[Sn](C)(C)C
InChIInChI=1S/C7H9ClO2.6CH3.2Sn/c1-2-10-7(9)5-3-4-6-8;;;;;;;;/h2,4,6H2,1H3;6*1H3;;
InChIKeyLKYLFXVYTWUYDG-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate
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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate?
The IUPAC name of ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate (CID 10672626) is ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate.
What is the SMILES notation for ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate?
The canonical SMILES for ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate is CCOC(=O)/C(=C(/CCCl)[Sn](C)(C)C)[Sn](C)(C)C.
What is the InChIKey of ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate?
The InChIKey is LKYLFXVYTWUYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO2.6CH3.2Sn/c1-2-10-7(9)5-3-4-6-8;;;;;;;;/h2,4,6H2,1H3;6*1H3;;.
What are the key properties of ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate?
ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate has a molecular weight of 488.23 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate is sourced from PubChem (CID 10672626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).