1,1-dibutyl-4-ethyl-4-methoxystannine

C16H30OSn — CID 12692922

IUPAC1,1-dibutyl-4-ethyl-4-methoxystannine
SMILESCCCC[Sn]1(CCCC)C=CC(CC)(OC)C=C1
InChIInChI=1S/C8H12O.2C4H9.Sn/c1-5-8(6-2,7-3)9-4;2*1-3-4-2;/h1-2,5-6H,7H2,3-4H3;2*1,3-4H2,2H3;
InChIKeyBYZXMLAKHGVPAJ-UHFFFAOYSA-N
MW357.13 g/mol
LogP5.03
Rot. Bonds8

About 1,1-dibutyl-4-ethyl-4-methoxystannine

1,1-dibutyl-4-ethyl-4-methoxystannine (PubChem CID 12692922) has the molecular formula C16H30OSn and a molecular weight of 357.13 g/mol. Its IUPAC name is 1,1-dibutyl-4-ethyl-4-methoxystannine.

Molecular Properties

Compound Name1,1-dibutyl-4-ethyl-4-methoxystannine
PubChem CID12692922
Molecular FormulaC16H30OSn
Molecular Weight357.13 g/mol
Exact Mass358.13
IUPAC Name1,1-dibutyl-4-ethyl-4-methoxystannine
SMILESCCCC[Sn]1(CCCC)C=CC(CC)(OC)C=C1
InChIInChI=1S/C8H12O.2C4H9.Sn/c1-5-8(6-2,7-3)9-4;2*1-3-4-2;/h1-2,5-6H,7H2,3-4H3;2*1,3-4H2,2H3;
InChIKeyBYZXMLAKHGVPAJ-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.13
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-4-ethyl-4-methoxystannine?
The IUPAC name of 1,1-dibutyl-4-ethyl-4-methoxystannine (CID 12692922) is 1,1-dibutyl-4-ethyl-4-methoxystannine.
What is the SMILES notation for 1,1-dibutyl-4-ethyl-4-methoxystannine?
The canonical SMILES for 1,1-dibutyl-4-ethyl-4-methoxystannine is CCCC[Sn]1(CCCC)C=CC(CC)(OC)C=C1.
What is the InChIKey of 1,1-dibutyl-4-ethyl-4-methoxystannine?
The InChIKey is BYZXMLAKHGVPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.2C4H9.Sn/c1-5-8(6-2,7-3)9-4;2*1-3-4-2;/h1-2,5-6H,7H2,3-4H3;2*1,3-4H2,2H3;.
What are the key properties of 1,1-dibutyl-4-ethyl-4-methoxystannine?
1,1-dibutyl-4-ethyl-4-methoxystannine has a molecular weight of 357.13 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-4-ethyl-4-methoxystannine is sourced from PubChem (CID 12692922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).