[(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane

C34H63BrOSn2 — CID 177475090

IUPAC[(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane
SMILESCCCC[Sn](/C=C(\COCc1ccccc1Br)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChIInChI=1S/C10H9BrO.6C4H9.2Sn/c1-2-7-12-8-9-5-3-4-6-10(9)11;6*1-3-4-2;;/h1,3-6H,7-8H2;6*1,3-4H2,2H3;;
InChIKeyJVWHIVNMFNVKJT-UHFFFAOYSA-N
MW805.20 g/mol
LogP12.67
Rot. Bonds24

About [(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane

[(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane (PubChem CID 177475090) has the molecular formula C34H63BrOSn2 and a molecular weight of 805.20 g/mol. Its IUPAC name is [(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane.

Molecular Properties

Compound Name[(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane
PubChem CID177475090
Molecular FormulaC34H63BrOSn2
Molecular Weight805.20 g/mol
Exact Mass806.21
IUPAC Name[(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane
SMILESCCCC[Sn](/C=C(\COCc1ccccc1Br)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChIInChI=1S/C10H9BrO.6C4H9.2Sn/c1-2-7-12-8-9-5-3-4-6-10(9)11;6*1-3-4-2;;/h1,3-6H,7-8H2;6*1,3-4H2,2H3;;
InChIKeyJVWHIVNMFNVKJT-UHFFFAOYSA-N
XLogP12.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.20
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromophenyl)methoxy]-1-cyclopropylethanone
CID 82827162
1-[(2-bromophenyl)methoxy]-3-chloropropan-2-one
CID 170561733
2-[(2-bromophenyl)methoxymethyl]prop-2-ene-1-thiol
CID 103073851
tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane
CID 10649526
2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 82809714
1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
CID 67392887
3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
CID 103075011
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
CID 82826611
(E)-3-phenyl-4-tributylstannylbut-3-en-1-ol
CID 15688386
4-[(2-bromophenyl)methoxy]-N-methylbutan-1-amine
CID 82825483
tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane?
The IUPAC name of [(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane (CID 177475090) is [(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane.
What is the SMILES notation for [(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane?
The canonical SMILES for [(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane is CCCC[Sn](/C=C(\COCc1ccccc1Br)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC.
What is the InChIKey of [(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane?
The InChIKey is JVWHIVNMFNVKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO.6C4H9.2Sn/c1-2-7-12-8-9-5-3-4-6-10(9)11;6*1-3-4-2;;/h1,3-6H,7-8H2;6*1,3-4H2,2H3;;.
What are the key properties of [(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane?
[(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane has a molecular weight of 805.20 g/mol, XLogP of 12.67, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(2-bromophenyl)methoxy]-1-tributylstannylprop-1-en-2-yl]-tributylstannane is sourced from PubChem (CID 177475090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).