tributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane

C19H40O2Sn — CID 10047679

IUPACtributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane
SMILESC=C(C[Sn](CCCC)(CCCC)CCCC)C(C)OCOC
InChIInChI=1S/C7H13O2.3C4H9.Sn/c1-6(2)7(3)9-5-8-4;3*1-3-4-2;/h7H,1-2,5H2,3-4H3;3*1,3-4H2,2H3;
InChIKeyCJBGKYAPKDHNDO-UHFFFAOYSA-N
MW419.24 g/mol
LogP6.40
Rot. Bonds15

About tributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane

tributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane (PubChem CID 10047679) has the molecular formula C19H40O2Sn and a molecular weight of 419.24 g/mol. Its IUPAC name is tributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane.

Molecular Properties

Compound Nametributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane
PubChem CID10047679
Molecular FormulaC19H40O2Sn
Molecular Weight419.24 g/mol
Exact Mass420.21
IUPAC Nametributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane
SMILESC=C(C[Sn](CCCC)(CCCC)CCCC)C(C)OCOC
InChIInChI=1S/C7H13O2.3C4H9.Sn/c1-6(2)7(3)9-5-8-4;3*1-3-4-2;/h7H,1-2,5H2,3-4H3;3*1,3-4H2,2H3;
InChIKeyCJBGKYAPKDHNDO-UHFFFAOYSA-N
XLogP6.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.24
LogP ≤ 56.40
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-[3-(methoxymethoxy)-2-methylidenebutyl]stannane?
The IUPAC name of tributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane (CID 10047679) is tributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane.
What is the SMILES notation for tributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane?
The canonical SMILES for tributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane is C=C(C[Sn](CCCC)(CCCC)CCCC)C(C)OCOC.
What is the InChIKey of tributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane?
The InChIKey is CJBGKYAPKDHNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2.3C4H9.Sn/c1-6(2)7(3)9-5-8-4;3*1-3-4-2;/h7H,1-2,5H2,3-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane?
tributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane has a molecular weight of 419.24 g/mol, XLogP of 6.40, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-(methoxymethoxy)-2-methylidenebutyl]stannane is sourced from PubChem (CID 10047679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).