[(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane

C20H39BrO2Sn — CID 134969759

IUPAC[(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(Br)=C/COC1CCCCO1
InChIInChI=1S/C8H12BrO2.3C4H9.Sn/c9-5-3-7-11-8-4-1-2-6-10-8;3*1-3-4-2;/h3,8H,1-2,4,6-7H2;3*1,3-4H2,2H3;
InChIKeyUYDQARIPEKZPHJ-UHFFFAOYSA-N
MW510.15 g/mol
LogP7.20
Rot. Bonds13

About [(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane

[(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane (PubChem CID 134969759) has the molecular formula C20H39BrO2Sn and a molecular weight of 510.15 g/mol. Its IUPAC name is [(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane.

Molecular Properties

Compound Name[(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane
PubChem CID134969759
Molecular FormulaC20H39BrO2Sn
Molecular Weight510.15 g/mol
Exact Mass510.12
IUPAC Name[(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(Br)=C/COC1CCCCO1
InChIInChI=1S/C8H12BrO2.3C4H9.Sn/c9-5-3-7-11-8-4-1-2-6-10-8;3*1-3-4-2;/h3,8H,1-2,4,6-7H2;3*1,3-4H2,2H3;
InChIKeyUYDQARIPEKZPHJ-UHFFFAOYSA-N
XLogP7.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.15
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane?
The IUPAC name of [(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane (CID 134969759) is [(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane.
What is the SMILES notation for [(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane?
The canonical SMILES for [(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane is CCCC[Sn](CCCC)(CCCC)/C(Br)=C/COC1CCCCO1.
What is the InChIKey of [(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane?
The InChIKey is UYDQARIPEKZPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrO2.3C4H9.Sn/c9-5-3-7-11-8-4-1-2-6-10-8;3*1-3-4-2;/h3,8H,1-2,4,6-7H2;3*1,3-4H2,2H3;.
What are the key properties of [(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane?
[(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane has a molecular weight of 510.15 g/mol, XLogP of 7.20, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-bromo-3-(oxan-2-yloxy)prop-1-enyl]-tributylstannane is sourced from PubChem (CID 134969759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).