[(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane

C30H42O4Sn — CID 170459764

IUPAC[(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H15O4.3C4H9.Sn/c1(13-3-5-15-17(11-13)21-9-7-19-15)2-14-4-6-16-18(12-14)22-10-8-20-16;3*1-3-4-2;/h1,3-6,11-12H,7-10H2;3*1,3-4H2,2H3;
InChIKeyQGPDOVVWWCBEGR-UHFFFAOYSA-N
MW585.37 g/mol
LogP8.16
Rot. Bonds12

About [(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane

[(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane (PubChem CID 170459764) has the molecular formula C30H42O4Sn and a molecular weight of 585.37 g/mol. Its IUPAC name is [(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane.

Molecular Properties

Compound Name[(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane
PubChem CID170459764
Molecular FormulaC30H42O4Sn
Molecular Weight585.37 g/mol
Exact Mass586.21
IUPAC Name[(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H15O4.3C4H9.Sn/c1(13-3-5-15-17(11-13)21-9-7-19-15)2-14-4-6-16-18(12-14)22-10-8-20-16;3*1-3-4-2;/h1,3-6,11-12H,7-10H2;3*1,3-4H2,2H3;
InChIKeyQGPDOVVWWCBEGR-UHFFFAOYSA-N
XLogP8.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.37
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1,3-benzodioxol-5-yl)-2-tributylstannylprop-2-enamide
CID 131741744
(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093646
6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine
CID 89352282
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-N-ethyl-3-methylbutan-1-amine
CID 79339071
N-butyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51180619
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)octan-2-one
CID 25062893
6-methyl-2,3-dihydro-1,4-benzodioxine;undecane
CID 144869652
2-(butylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
CID 82100587
deuterio(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 118916413
butyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
CID 60731120
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-1-one
CID 114873952
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134057917

Frequently Asked Questions

What is the IUPAC name of [(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane?
The IUPAC name of [(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane (CID 170459764) is [(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane.
What is the SMILES notation for [(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane?
The canonical SMILES for [(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane is CCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2.
What is the InChIKey of [(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane?
The InChIKey is QGPDOVVWWCBEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O4.3C4H9.Sn/c1(13-3-5-15-17(11-13)21-9-7-19-15)2-14-4-6-16-18(12-14)22-10-8-20-16;3*1-3-4-2;/h1,3-6,11-12H,7-10H2;3*1,3-4H2,2H3;.
What are the key properties of [(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane?
[(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane has a molecular weight of 585.37 g/mol, XLogP of 8.16, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,2-bis(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-tributylstannane is sourced from PubChem (CID 170459764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).