tributyl(3,4-dihydro-2H-pyran-4-yl)stannane

C17H34OSn — CID 19600452

IUPACtributyl(3,4-dihydro-2H-pyran-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=COCC1
InChIInChI=1S/C5H7O.3C4H9.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1-2,4H,3,5H2;3*1,3-4H2,2H3;
InChIKeyOVOOACRXZNIKFH-UHFFFAOYSA-N
MW373.17 g/mol
LogP6.14
Rot. Bonds10

About tributyl(3,4-dihydro-2H-pyran-4-yl)stannane

tributyl(3,4-dihydro-2H-pyran-4-yl)stannane (PubChem CID 19600452) has the molecular formula C17H34OSn and a molecular weight of 373.17 g/mol. Its IUPAC name is tributyl(3,4-dihydro-2H-pyran-4-yl)stannane.

Molecular Properties

Compound Nametributyl(3,4-dihydro-2H-pyran-4-yl)stannane
PubChem CID19600452
Molecular FormulaC17H34OSn
Molecular Weight373.17 g/mol
Exact Mass374.16
IUPAC Nametributyl(3,4-dihydro-2H-pyran-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=COCC1
InChIInChI=1S/C5H7O.3C4H9.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1-2,4H,3,5H2;3*1,3-4H2,2H3;
InChIKeyOVOOACRXZNIKFH-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.17
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl(3,4-dihydro-2H-pyran-4-yl)stannane?
The IUPAC name of tributyl(3,4-dihydro-2H-pyran-4-yl)stannane (CID 19600452) is tributyl(3,4-dihydro-2H-pyran-4-yl)stannane.
What is the SMILES notation for tributyl(3,4-dihydro-2H-pyran-4-yl)stannane?
The canonical SMILES for tributyl(3,4-dihydro-2H-pyran-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)C1C=COCC1.
What is the InChIKey of tributyl(3,4-dihydro-2H-pyran-4-yl)stannane?
The InChIKey is OVOOACRXZNIKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O.3C4H9.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1-2,4H,3,5H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl(3,4-dihydro-2H-pyran-4-yl)stannane?
tributyl(3,4-dihydro-2H-pyran-4-yl)stannane has a molecular weight of 373.17 g/mol, XLogP of 6.14, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3,4-dihydro-2H-pyran-4-yl)stannane is sourced from PubChem (CID 19600452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).