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

C21H42O2Sn — CID 11362802

IUPACtributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane
SMILESCCCC[Sn](/C=C(\C)COC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C9H15O2.3C4H9.Sn/c1-8(2)7-11-9-5-3-4-6-10-9;3*1-3-4-2;/h1,9H,3-7H2,2H3;3*1,3-4H2,2H3;
InChIKeySHOKRMANOBCZHC-UHFFFAOYSA-N
MW445.28 g/mol
LogP6.86
Rot. Bonds13

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

tributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane (PubChem CID 11362802) has the molecular formula C21H42O2Sn and a molecular weight of 445.28 g/mol. Its IUPAC name is tributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane
PubChem CID11362802
Molecular FormulaC21H42O2Sn
Molecular Weight445.28 g/mol
Exact Mass446.22
IUPAC Nametributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane
SMILESCCCC[Sn](/C=C(\C)COC1CCCCO1)(CCCC)CCCC
InChIInChI=1S/C9H15O2.3C4H9.Sn/c1-8(2)7-11-9-5-3-4-6-10-9;3*1-3-4-2;/h1,9H,3-7H2,2H3;3*1,3-4H2,2H3;
InChIKeySHOKRMANOBCZHC-UHFFFAOYSA-N
XLogP6.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.28
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane (CID 11362802) is tributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane is CCCC[Sn](/C=C(\C)COC1CCCCO1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane?
The InChIKey is SHOKRMANOBCZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2.3C4H9.Sn/c1-8(2)7-11-9-5-3-4-6-10-9;3*1-3-4-2;/h1,9H,3-7H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane?
tributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane has a molecular weight of 445.28 g/mol, XLogP of 6.86, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-2-methyl-3-(oxan-2-yloxy)prop-1-enyl]stannane is sourced from PubChem (CID 11362802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).