dimethyl-bis(2-pentan-2-ylphenoxy)stannane

C24H36O2Sn — CID 67503480

IUPACdimethyl-bis(2-pentan-2-ylphenoxy)stannane
SMILESCCCC(C)c1ccccc1O[Sn](C)(C)Oc1ccccc1C(C)CCC
InChIInChI=1S/2C11H16O.2CH3.Sn/c2*1-3-6-9(2)10-7-4-5-8-11(10)12;;;/h2*4-5,7-9,12H,3,6H2,1-2H3;2*1H3;/q;;;;+2/p-2
InChIKeyXLHSNAKOQCIVOQ-UHFFFAOYSA-L
MW475.26 g/mol
LogP7.65
Rot. Bonds10

About dimethyl-bis(2-pentan-2-ylphenoxy)stannane

dimethyl-bis(2-pentan-2-ylphenoxy)stannane (PubChem CID 67503480) has the molecular formula C24H36O2Sn and a molecular weight of 475.26 g/mol. Its IUPAC name is dimethyl-bis(2-pentan-2-ylphenoxy)stannane.

Molecular Properties

Compound Namedimethyl-bis(2-pentan-2-ylphenoxy)stannane
PubChem CID67503480
Molecular FormulaC24H36O2Sn
Molecular Weight475.26 g/mol
Exact Mass476.17
IUPAC Namedimethyl-bis(2-pentan-2-ylphenoxy)stannane
SMILESCCCC(C)c1ccccc1O[Sn](C)(C)Oc1ccccc1C(C)CCC
InChIInChI=1S/2C11H16O.2CH3.Sn/c2*1-3-6-9(2)10-7-4-5-8-11(10)12;;;/h2*4-5,7-9,12H,3,6H2,1-2H3;2*1H3;/q;;;;+2/p-2
InChIKeyXLHSNAKOQCIVOQ-UHFFFAOYSA-L
XLogP7.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.26
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

O-(2-pentan-2-ylphenyl)hydroxylamine
CID 173492752
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
1-ethyl-2-[(2S)-pentan-2-yl]benzene
CID 144927407
(2-pentan-2-ylphenyl) N-prop-1-enylcarbamate
CID 71409261
CID 174078311
CID 174078311
1-methyl-2-(2-pentan-2-ylphenyl)benzene
CID 156706346
[2,3-di(pentan-2-yl)phenyl] dihydrogen phosphate
CID 22497485
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
1-[(2S,3R)-3-deuteriobutan-2-yl]-2-methoxybenzene
CID 102007298
N-ethyl-2-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115850903
1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine
CID 62042987
pentan-2-ylbenzene
CID 17627

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(2-pentan-2-ylphenoxy)stannane?
The IUPAC name of dimethyl-bis(2-pentan-2-ylphenoxy)stannane (CID 67503480) is dimethyl-bis(2-pentan-2-ylphenoxy)stannane.
What is the SMILES notation for dimethyl-bis(2-pentan-2-ylphenoxy)stannane?
The canonical SMILES for dimethyl-bis(2-pentan-2-ylphenoxy)stannane is CCCC(C)c1ccccc1O[Sn](C)(C)Oc1ccccc1C(C)CCC.
What is the InChIKey of dimethyl-bis(2-pentan-2-ylphenoxy)stannane?
The InChIKey is XLHSNAKOQCIVOQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H16O.2CH3.Sn/c2*1-3-6-9(2)10-7-4-5-8-11(10)12;;;/h2*4-5,7-9,12H,3,6H2,1-2H3;2*1H3;/q;;;;+2/p-2.
What are the key properties of dimethyl-bis(2-pentan-2-ylphenoxy)stannane?
dimethyl-bis(2-pentan-2-ylphenoxy)stannane has a molecular weight of 475.26 g/mol, XLogP of 7.65, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-pentan-2-ylphenoxy)stannane is sourced from PubChem (CID 67503480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).