ethyl 2-(trimethylstannylmethyl)prop-2-enoate

C9H18O2Sn — CID 11288911

IUPACethyl 2-(trimethylstannylmethyl)prop-2-enoate
SMILESC=C(C[Sn](C)(C)C)C(=O)OCC
InChIInChI=1S/C6H9O2.3CH3.Sn/c1-4-8-6(7)5(2)3;;;;/h2-4H2,1H3;3*1H3;
InChIKeyVQPSFKSQKRLXFS-UHFFFAOYSA-N
MW276.95 g/mol
LogP2.44
Rot. Bonds4

About ethyl 2-(trimethylstannylmethyl)prop-2-enoate

ethyl 2-(trimethylstannylmethyl)prop-2-enoate (PubChem CID 11288911) has the molecular formula C9H18O2Sn and a molecular weight of 276.95 g/mol. Its IUPAC name is ethyl 2-(trimethylstannylmethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(trimethylstannylmethyl)prop-2-enoate
PubChem CID11288911
Molecular FormulaC9H18O2Sn
Molecular Weight276.95 g/mol
Exact Mass278.03
IUPAC Nameethyl 2-(trimethylstannylmethyl)prop-2-enoate
SMILESC=C(C[Sn](C)(C)C)C(=O)OCC
InChIInChI=1S/C6H9O2.3CH3.Sn/c1-4-8-6(7)5(2)3;;;;/h2-4H2,1H3;3*1H3;
InChIKeyVQPSFKSQKRLXFS-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.95
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trimethylstannylmethyl)prop-2-enoate?
The IUPAC name of ethyl 2-(trimethylstannylmethyl)prop-2-enoate (CID 11288911) is ethyl 2-(trimethylstannylmethyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(trimethylstannylmethyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(trimethylstannylmethyl)prop-2-enoate is C=C(C[Sn](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-(trimethylstannylmethyl)prop-2-enoate?
The InChIKey is VQPSFKSQKRLXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O2.3CH3.Sn/c1-4-8-6(7)5(2)3;;;;/h2-4H2,1H3;3*1H3;.
What are the key properties of ethyl 2-(trimethylstannylmethyl)prop-2-enoate?
ethyl 2-(trimethylstannylmethyl)prop-2-enoate has a molecular weight of 276.95 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trimethylstannylmethyl)prop-2-enoate is sourced from PubChem (CID 11288911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).