2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one

C11H16O2Sn — CID 15312848

IUPAC2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one
SMILESCOc1ccc([Sn](C)(C)C)ccc1=O
InChIInChI=1S/C8H7O2.3CH3.Sn/c1-10-8-6-4-2-3-5-7(8)9;;;;/h3-6H,1H3;3*1H3;
InChIKeyCVCWDBVAMPIXKE-UHFFFAOYSA-N
MW298.96 g/mol
LogP1.60
Rot. Bonds2

About 2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one

2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one (PubChem CID 15312848) has the molecular formula C11H16O2Sn and a molecular weight of 298.96 g/mol. Its IUPAC name is 2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one
PubChem CID15312848
Molecular FormulaC11H16O2Sn
Molecular Weight298.96 g/mol
Exact Mass300.02
IUPAC Name2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one
SMILESCOc1ccc([Sn](C)(C)C)ccc1=O
InChIInChI=1S/C8H7O2.3CH3.Sn/c1-10-8-6-4-2-3-5-7(8)9;;;;/h3-6H,1H3;3*1H3;
InChIKeyCVCWDBVAMPIXKE-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.96
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one (CID 15312848) is 2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one is COc1ccc([Sn](C)(C)C)ccc1=O.
What is the InChIKey of 2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one?
The InChIKey is CVCWDBVAMPIXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O2.3CH3.Sn/c1-10-8-6-4-2-3-5-7(8)9;;;;/h3-6H,1H3;3*1H3;.
What are the key properties of 2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one?
2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one has a molecular weight of 298.96 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-trimethylstannylcyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 15312848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).