3-methoxy-2-trimethylstannylcyclopent-2-en-1-one

C9H16O2Sn — CID 72701025

IUPAC3-methoxy-2-trimethylstannylcyclopent-2-en-1-one
SMILESCOC1=C([Sn](C)(C)C)C(=O)CC1
InChIInChI=1S/C6H7O2.3CH3.Sn/c1-8-6-3-2-5(7)4-6;;;;/h2-3H2,1H3;3*1H3;
InChIKeyCPBDWUAGPZVCHV-UHFFFAOYSA-N
MW274.94 g/mol
LogP2.13
Rot. Bonds2

About 3-methoxy-2-trimethylstannylcyclopent-2-en-1-one

3-methoxy-2-trimethylstannylcyclopent-2-en-1-one (PubChem CID 72701025) has the molecular formula C9H16O2Sn and a molecular weight of 274.94 g/mol. Its IUPAC name is 3-methoxy-2-trimethylstannylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-trimethylstannylcyclopent-2-en-1-one
PubChem CID72701025
Molecular FormulaC9H16O2Sn
Molecular Weight274.94 g/mol
Exact Mass276.02
IUPAC Name3-methoxy-2-trimethylstannylcyclopent-2-en-1-one
SMILESCOC1=C([Sn](C)(C)C)C(=O)CC1
InChIInChI=1S/C6H7O2.3CH3.Sn/c1-8-6-3-2-5(7)4-6;;;;/h2-3H2,1H3;3*1H3;
InChIKeyCPBDWUAGPZVCHV-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.94
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-trimethylstannylcyclopent-2-en-1-one?
The IUPAC name of 3-methoxy-2-trimethylstannylcyclopent-2-en-1-one (CID 72701025) is 3-methoxy-2-trimethylstannylcyclopent-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-trimethylstannylcyclopent-2-en-1-one?
The canonical SMILES for 3-methoxy-2-trimethylstannylcyclopent-2-en-1-one is COC1=C([Sn](C)(C)C)C(=O)CC1.
What is the InChIKey of 3-methoxy-2-trimethylstannylcyclopent-2-en-1-one?
The InChIKey is CPBDWUAGPZVCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O2.3CH3.Sn/c1-8-6-3-2-5(7)4-6;;;;/h2-3H2,1H3;3*1H3;.
What are the key properties of 3-methoxy-2-trimethylstannylcyclopent-2-en-1-one?
3-methoxy-2-trimethylstannylcyclopent-2-en-1-one has a molecular weight of 274.94 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-trimethylstannylcyclopent-2-en-1-one is sourced from PubChem (CID 72701025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).