3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane

C27H56O7Sn2 — CID 16688813

IUPAC3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane
SMILESCCCC[Sn]1(CCCC)OCCOCC2(COCCO1)COCCO[Sn](CCCC)(CCCC)OC2
InChIInChI=1S/C11H20O7.4C4H9.2Sn/c12-1-4-16-8-11(7-15,9-17-5-2-13)10-18-6-3-14;4*1-3-4-2;;/h1-10H2;4*1,3-4H2,2H3;;/q-4;;;;;2*+2
InChIKeyXQUIUTNIDNKLMX-UHFFFAOYSA-N
MW730.16 g/mol
LogP6.20
Rot. Bonds12

About 3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane

3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane (PubChem CID 16688813) has the molecular formula C27H56O7Sn2 and a molecular weight of 730.16 g/mol. Its IUPAC name is 3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane.

Molecular Properties

Compound Name3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane
PubChem CID16688813
Molecular FormulaC27H56O7Sn2
Molecular Weight730.16 g/mol
Exact Mass732.21
IUPAC Name3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane
SMILESCCCC[Sn]1(CCCC)OCCOCC2(COCCO1)COCCO[Sn](CCCC)(CCCC)OC2
InChIInChI=1S/C11H20O7.4C4H9.2Sn/c12-1-4-16-8-11(7-15,9-17-5-2-13)10-18-6-3-14;4*1-3-4-2;;/h1-10H2;4*1,3-4H2,2H3;;/q-4;;;;;2*+2
InChIKeyXQUIUTNIDNKLMX-UHFFFAOYSA-N
XLogP6.20
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.16
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol
CID 59297314
2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane
CID 66811542
2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine
CID 16703205
2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane
CID 71360609
1,4-dioxane;tetradecane
CID 159034856
12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane
CID 14205915
3,3-dibutyl-5-ethyl-5-methyl-1,2,4,3-trioxastannolane
CID 16683329
5,8-dioxaspiro[2.6]nonane
CID 118209719
1,4-dioxane;1-pentoxypentane
CID 174356603
2-methyl-2-octadecyl-1,4-dioxane
CID 150538207
1-butoxybutane;2-methyloxirane;oxirane
CID 129186869
2-ethyl-2-methyl-1,4-dioxane
CID 21332866

Frequently Asked Questions

What is the IUPAC name of 3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane?
The IUPAC name of 3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane (CID 16688813) is 3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane.
What is the SMILES notation for 3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane?
The canonical SMILES for 3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane is CCCC[Sn]1(CCCC)OCCOCC2(COCCO1)COCCO[Sn](CCCC)(CCCC)OC2.
What is the InChIKey of 3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane?
The InChIKey is XQUIUTNIDNKLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O7.4C4H9.2Sn/c12-1-4-16-8-11(7-15,9-17-5-2-13)10-18-6-3-14;4*1-3-4-2;;/h1-10H2;4*1,3-4H2,2H3;;/q-4;;;;;2*+2.
What are the key properties of 3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane?
3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane has a molecular weight of 730.16 g/mol, XLogP of 6.20, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane is sourced from PubChem (CID 16688813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).