[3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane

C24H41BrO2Sn — CID 15879845

IUPAC[3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(Br)cc(COC2CCCCO2)c1
InChIInChI=1S/C12H14BrO2.3C4H9.Sn/c13-11-5-3-4-10(8-11)9-15-12-6-1-2-7-14-12;3*1-3-4-2;/h4-5,8,12H,1-2,6-7,9H2;3*1,3-4H2,2H3;
InChIKeyLPPWCWJIUYAPMU-UHFFFAOYSA-N
MW560.21 g/mol
LogP7.55
Rot. Bonds13

About [3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane

[3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane (PubChem CID 15879845) has the molecular formula C24H41BrO2Sn and a molecular weight of 560.21 g/mol. Its IUPAC name is [3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane.

Molecular Properties

Compound Name[3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane
PubChem CID15879845
Molecular FormulaC24H41BrO2Sn
Molecular Weight560.21 g/mol
Exact Mass560.13
IUPAC Name[3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(Br)cc(COC2CCCCO2)c1
InChIInChI=1S/C12H14BrO2.3C4H9.Sn/c13-11-5-3-4-10(8-11)9-15-12-6-1-2-7-14-12;3*1-3-4-2;/h4-5,8,12H,1-2,6-7,9H2;3*1,3-4H2,2H3;
InChIKeyLPPWCWJIUYAPMU-UHFFFAOYSA-N
XLogP7.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.21
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87306
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CID 105395
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CID 688342
1-Bromo-2-(diethoxymethyl)benzene
CID 3482778
1-Bromo-2-(dimethoxymethyl)benzene
CID 11148943
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
1-Bromo-3-(diethoxymethyl)benzene
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3'-Bromoacetophenone diethyl ketal
CID 73995132
2-(3-Bromophenyl)-1,3-dioxane
CID 10105815
1,3-Dibromo-5-(dimethoxymethyl)benzene
CID 19093458
2-Bromo-4-(dimethoxymethyl)-1-fluorobenzene
CID 22260864
2-[(4-Bromophenyl)methoxy]oxane
CID 598168

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane?
The IUPAC name of [3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane (CID 15879845) is [3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane.
What is the SMILES notation for [3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane?
The canonical SMILES for [3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane is CCCC[Sn](CCCC)(CCCC)c1cc(Br)cc(COC2CCCCO2)c1.
What is the InChIKey of [3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane?
The InChIKey is LPPWCWJIUYAPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrO2.3C4H9.Sn/c13-11-5-3-4-10(8-11)9-15-12-6-1-2-7-14-12;3*1-3-4-2;/h4-5,8,12H,1-2,6-7,9H2;3*1,3-4H2,2H3;.
What are the key properties of [3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane?
[3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane has a molecular weight of 560.21 g/mol, XLogP of 7.55, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(oxan-2-yloxymethyl)phenyl]-tributylstannane is sourced from PubChem (CID 15879845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).