9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene

C32H60O4Sn2 — CID 177496437

IUPAC9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene
SMILESCCCC[Sn]1(CCCC)OCC2(CC=CCC2)CO[Sn](CCCC)(CCCC)OCC2(CC=CCC2)CO1
InChIInChI=1S/2C8H12O2.4C4H9.2Sn/c2*9-6-8(7-10)4-2-1-3-5-8;4*1-3-4-2;;/h2*1-2H,3-7H2;4*1,3-4H2,2H3;;/q2*-2;;;;;2*+2
InChIKeyADNKXELUFVOREX-UHFFFAOYSA-N
MW746.25 g/mol
LogP9.60
Rot. Bonds12

About 9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene

9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene (PubChem CID 177496437) has the molecular formula C32H60O4Sn2 and a molecular weight of 746.25 g/mol. Its IUPAC name is 9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene.

Molecular Properties

Compound Name9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene
PubChem CID177496437
Molecular FormulaC32H60O4Sn2
Molecular Weight746.25 g/mol
Exact Mass748.25
IUPAC Name9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene
SMILESCCCC[Sn]1(CCCC)OCC2(CC=CCC2)CO[Sn](CCCC)(CCCC)OCC2(CC=CCC2)CO1
InChIInChI=1S/2C8H12O2.4C4H9.2Sn/c2*9-6-8(7-10)4-2-1-3-5-8;4*1-3-4-2;;/h2*1-2H,3-7H2;4*1,3-4H2,2H3;;/q2*-2;;;;;2*+2
InChIKeyADNKXELUFVOREX-UHFFFAOYSA-N
XLogP9.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.25
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene?
The IUPAC name of 9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene (CID 177496437) is 9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene.
What is the SMILES notation for 9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene?
The canonical SMILES for 9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene is CCCC[Sn]1(CCCC)OCC2(CC=CCC2)CO[Sn](CCCC)(CCCC)OCC2(CC=CCC2)CO1.
What is the InChIKey of 9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene?
The InChIKey is ADNKXELUFVOREX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12O2.4C4H9.2Sn/c2*9-6-8(7-10)4-2-1-3-5-8;4*1-3-4-2;;/h2*1-2H,3-7H2;4*1,3-4H2,2H3;;/q2*-2;;;;;2*+2.
What are the key properties of 9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene?
9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene has a molecular weight of 746.25 g/mol, XLogP of 9.60, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,20,20-tetrabutyl-8,10,19,21-tetraoxa-9,20-distannadispiro[5.5.512.56]docosa-3,15-diene is sourced from PubChem (CID 177496437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).