tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane

C21H44O2Sn — CID 175672908

IUPACtributyl-(4,4-diethoxy-2-methylidenebutyl)stannane
SMILESC=C(CC(OCC)OCC)C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H17O2.3C4H9.Sn/c1-5-10-9(11-6-2)7-8(3)4;3*1-3-4-2;/h9H,3-7H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyCAWZMCKREYGHHF-UHFFFAOYSA-N
MW447.29 g/mol
LogP7.18
Rot. Bonds17

About tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane

tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane (PubChem CID 175672908) has the molecular formula C21H44O2Sn and a molecular weight of 447.29 g/mol. Its IUPAC name is tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane.

Molecular Properties

Compound Nametributyl-(4,4-diethoxy-2-methylidenebutyl)stannane
PubChem CID175672908
Molecular FormulaC21H44O2Sn
Molecular Weight447.29 g/mol
Exact Mass448.24
IUPAC Nametributyl-(4,4-diethoxy-2-methylidenebutyl)stannane
SMILESC=C(CC(OCC)OCC)C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H17O2.3C4H9.Sn/c1-5-10-9(11-6-2)7-8(3)4;3*1-3-4-2;/h9H,3-7H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyCAWZMCKREYGHHF-UHFFFAOYSA-N
XLogP7.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.29
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane?
The IUPAC name of tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane (CID 175672908) is tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane.
What is the SMILES notation for tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane?
The canonical SMILES for tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane is C=C(CC(OCC)OCC)C[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane?
The InChIKey is CAWZMCKREYGHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2.3C4H9.Sn/c1-5-10-9(11-6-2)7-8(3)4;3*1-3-4-2;/h9H,3-7H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane?
tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane has a molecular weight of 447.29 g/mol, XLogP of 7.18, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(4,4-diethoxy-2-methylidenebutyl)stannane is sourced from PubChem (CID 175672908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).