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

C11H16O2Sn — CID 15312843

IUPAC2-methoxy-6-trimethylstannylcyclohepta-2,4,6-trien-1-one
SMILESCOc1cccc([Sn](C)(C)C)cc1=O
InChIInChI=1S/C8H7O2.3CH3.Sn/c1-10-8-6-4-2-3-5-7(8)9;;;;/h2,4-6H,1H3;3*1H3;
InChIKeyGDXRPNHWKIDRIT-UHFFFAOYSA-N
MW298.96 g/mol
LogP1.60
Rot. Bonds2

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

2-methoxy-6-trimethylstannylcyclohepta-2,4,6-trien-1-one (PubChem CID 15312843) has the molecular formula C11H16O2Sn and a molecular weight of 298.96 g/mol. Its IUPAC name is 2-methoxy-6-trimethylstannylcyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-methoxy-6-trimethylstannylcyclohepta-2,4,6-trien-1-one
PubChem CID15312843
Molecular FormulaC11H16O2Sn
Molecular Weight298.96 g/mol
Exact Mass300.02
IUPAC Name2-methoxy-6-trimethylstannylcyclohepta-2,4,6-trien-1-one
SMILESCOc1cccc([Sn](C)(C)C)cc1=O
InChIInChI=1S/C8H7O2.3CH3.Sn/c1-10-8-6-4-2-3-5-7(8)9;;;;/h2,4-6H,1H3;3*1H3;
InChIKeyGDXRPNHWKIDRIT-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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Related Compounds

2-Methoxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 12542182
2-Methoxy-2,4,6-cycloheptatrien-1-one
CID 16546
2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)-
CID 214692
2,4,6-Cycloheptatrien-1-one, 2-methoxy-4-(1-methylethyl)-
CID 10397353
2-Methoxy-4-allylidene-2,5-cyclohexadiene-1-one
CID 71448980
2-Methoxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 13931942
5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one
CID 604017
6-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one
CID 13569100
Trimethyl(4-methoxy-5-oxo-1,3,6-cycloheptatrien-1-yl)tin
CID 15312848
4-Allylidene-2-methoxy-cyclohexa-2,5-dienone
CID 53715109
6-Oxooxepine
CID 53671184
2,4,6-Cycloheptatrien-1-one, 2-[(tributylstannyl)oxy]-
CID 16683209

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-trimethylstannylcyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-methoxy-6-trimethylstannylcyclohepta-2,4,6-trien-1-one (CID 15312843) is 2-methoxy-6-trimethylstannylcyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-methoxy-6-trimethylstannylcyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-methoxy-6-trimethylstannylcyclohepta-2,4,6-trien-1-one is COc1cccc([Sn](C)(C)C)cc1=O.
What is the InChIKey of 2-methoxy-6-trimethylstannylcyclohepta-2,4,6-trien-1-one?
The InChIKey is GDXRPNHWKIDRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O2.3CH3.Sn/c1-10-8-6-4-2-3-5-7(8)9;;;;/h2,4-6H,1H3;3*1H3;.
What are the key properties of 2-methoxy-6-trimethylstannylcyclohepta-2,4,6-trien-1-one?
2-methoxy-6-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-6-trimethylstannylcyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 15312843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).