tributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane

C22H44O3Sn — CID 15634407

IUPACtributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane
SMILESCCCC[Sn](C/C=C/OCCCC1OCCCO1)(CCCC)CCCC
InChIInChI=1S/C10H17O3.3C4H9.Sn/c1-2-6-11-7-3-5-10-12-8-4-9-13-10;3*1-3-4-2;/h2,6,10H,1,3-5,7-9H2;3*1,3-4H2,2H3;/b6-2+;;;;
InChIKeyKJKBGNFMLQCOAV-GGDCSFEBSA-N
MW475.30 g/mol
LogP6.91
Rot. Bonds16

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

tributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane (PubChem CID 15634407) has the molecular formula C22H44O3Sn and a molecular weight of 475.30 g/mol. Its IUPAC name is tributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane
PubChem CID15634407
Molecular FormulaC22H44O3Sn
Molecular Weight475.30 g/mol
Exact Mass476.23
IUPAC Nametributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane
SMILESCCCC[Sn](C/C=C/OCCCC1OCCCO1)(CCCC)CCCC
InChIInChI=1S/C10H17O3.3C4H9.Sn/c1-2-6-11-7-3-5-10-12-8-4-9-13-10;3*1-3-4-2;/h2,6,10H,1,3-5,7-9H2;3*1,3-4H2,2H3;/b6-2+;;;;
InChIKeyKJKBGNFMLQCOAV-GGDCSFEBSA-N
XLogP6.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.30
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane?
The IUPAC name of tributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane (CID 15634407) is tributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane?
The canonical SMILES for tributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane is CCCC[Sn](C/C=C/OCCCC1OCCCO1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane?
The InChIKey is KJKBGNFMLQCOAV-GGDCSFEBSA-N. The full InChI is InChI=1S/C10H17O3.3C4H9.Sn/c1-2-6-11-7-3-5-10-12-8-4-9-13-10;3*1-3-4-2;/h2,6,10H,1,3-5,7-9H2;3*1,3-4H2,2H3;/b6-2+;;;;.
What are the key properties of tributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane?
tributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane has a molecular weight of 475.30 g/mol, XLogP of 6.91, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-3-[3-(1,3-dioxan-2-yl)propoxy]prop-2-enyl]stannane is sourced from PubChem (CID 15634407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).