tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane

C20H40O2Sn — CID 135008235

IUPACtributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane
SMILESCCCC[Sn](/C=C\COC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C8H13O2.3C4H9.Sn/c1-2-6-9-8-5-3-4-7-10-8;3*1-3-4-2;/h1-2,8H,3-7H2;3*1,3-4H2,2H3;
InChIKeyQHABPGHZEIGMFI-UHFFFAOYSA-N
MW431.25 g/mol
LogP6.47
Rot. Bonds13

About tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane

tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane (PubChem CID 135008235) has the molecular formula C20H40O2Sn and a molecular weight of 431.25 g/mol. Its IUPAC name is tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane
PubChem CID135008235
Molecular FormulaC20H40O2Sn
Molecular Weight431.25 g/mol
Exact Mass432.21
IUPAC Nametributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane
SMILESCCCC[Sn](/C=C\COC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C8H13O2.3C4H9.Sn/c1-2-6-9-8-5-3-4-7-10-8;3*1-3-4-2;/h1-2,8H,3-7H2;3*1,3-4H2,2H3;
InChIKeyQHABPGHZEIGMFI-UHFFFAOYSA-N
XLogP6.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.25
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane?
The IUPAC name of tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane (CID 135008235) is tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane is CCCC[Sn](/C=C\COC1CCCCO1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane?
The InChIKey is QHABPGHZEIGMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O2.3C4H9.Sn/c1-2-6-9-8-5-3-4-7-10-8;3*1-3-4-2;/h1-2,8H,3-7H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane?
tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane has a molecular weight of 431.25 g/mol, XLogP of 6.47, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane is sourced from PubChem (CID 135008235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).