tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane

C24H40O2Sn — CID 23510461

IUPACtributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane
SMILESCCCC[Sn](/C=C/Cc1ccccc1C1OCCO1)(CCCC)CCCC
InChIInChI=1S/C12H13O2.3C4H9.Sn/c1-2-5-10-6-3-4-7-11(10)12-13-8-9-14-12;3*1-3-4-2;/h1-4,6-7,12H,5,8-9H2;3*1,3-4H2,2H3;
InChIKeyJVIWQVYQPCCIHQ-UHFFFAOYSA-N
MW479.29 g/mol
LogP7.22
Rot. Bonds13

About tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane

tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane (PubChem CID 23510461) has the molecular formula C24H40O2Sn and a molecular weight of 479.29 g/mol. Its IUPAC name is tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane
PubChem CID23510461
Molecular FormulaC24H40O2Sn
Molecular Weight479.29 g/mol
Exact Mass480.21
IUPAC Nametributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane
SMILESCCCC[Sn](/C=C/Cc1ccccc1C1OCCO1)(CCCC)CCCC
InChIInChI=1S/C12H13O2.3C4H9.Sn/c1-2-5-10-6-3-4-7-11(10)12-13-8-9-14-12;3*1-3-4-2;/h1-4,6-7,12H,5,8-9H2;3*1,3-4H2,2H3;
InChIKeyJVIWQVYQPCCIHQ-UHFFFAOYSA-N
XLogP7.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.29
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane (CID 23510461) is tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane is CCCC[Sn](/C=C/Cc1ccccc1C1OCCO1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane?
The InChIKey is JVIWQVYQPCCIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2.3C4H9.Sn/c1-2-5-10-6-3-4-7-11(10)12-13-8-9-14-12;3*1-3-4-2;/h1-4,6-7,12H,5,8-9H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane?
tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane has a molecular weight of 479.29 g/mol, XLogP of 7.22, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane is sourced from PubChem (CID 23510461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).