17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen

C20H54O13Si8Sn — CID 158460487

IUPAC17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen
SMILESCC#C[Si]12O[Si]3(C)O[Si]4(C)O[Si]5(C)O[Si](C)(O3)O[Si](C#CC)(O[Si](C)(O5)O[Si](C)(O4)O1)O[Sn](CCCC)(CCCC)O2.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C12H24O13Si8.2C4H9.Sn.6H2/c1-9-11-32(13)22-28(5)16-26(3)15-27(4)18-30(7,20-28)24-33(14,12-10-2)25-31(8,19-27)21-29(6,17-26)23-32;2*1-3-4-2;;;;;;;/h1-8H3;2*1,3-4H2,2H3;;6*1H/q-2;;;+2;;;;;;
InChIKeyHFCKIXOASWAHCE-UHFFFAOYSA-N
MW846.04 g/mol
LogP5.20
Rot. Bonds6

About 17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen

17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen (PubChem CID 158460487) has the molecular formula C20H54O13Si8Sn and a molecular weight of 846.04 g/mol. Its IUPAC name is 17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen.

Molecular Properties

Compound Name17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen
PubChem CID158460487
Molecular FormulaC20H54O13Si8Sn
Molecular Weight846.04 g/mol
Exact Mass846.07
IUPAC Name17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen
SMILESCC#C[Si]12O[Si]3(C)O[Si]4(C)O[Si]5(C)O[Si](C)(O3)O[Si](C#CC)(O[Si](C)(O5)O[Si](C)(O4)O1)O[Sn](CCCC)(CCCC)O2.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C12H24O13Si8.2C4H9.Sn.6H2/c1-9-11-32(13)22-28(5)16-26(3)15-27(4)18-30(7,20-28)24-33(14,12-10-2)25-31(8,19-27)21-29(6,17-26)23-32;2*1-3-4-2;;;;;;;/h1-8H3;2*1,3-4H2,2H3;;6*1H/q-2;;;+2;;;;;;
InChIKeyHFCKIXOASWAHCE-UHFFFAOYSA-N
XLogP5.20
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500846.04
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen 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

2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane
CID 71360609
azane;hexane;molecular hydrogen
CID 143167531
2,4,6,8-tetramethyl-2,4,6,8-tetrapentyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 142697059
molecular hydrogen;pentane
CID 173460731
3,3-dibutyl-5-ethyl-5-methyl-1,2,4,3-trioxastannolane
CID 16683329
2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine
CID 16703205
1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane
CID 12561632
2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane
CID 158551467
2,2-dibutyl-1,3-dimethyl-1,3,2-diazastannetidine
CID 166567608
3,3-dibutyl-6,7,8,9-tetrafluoro-2,4,3-benzodioxastannepine-1,5-dione
CID 16707069
azane;hexane
CID 18428977
3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine
CID 58718104

Frequently Asked Questions

What is the IUPAC name of 17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen?
The IUPAC name of 17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen (CID 158460487) is 17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen.
What is the SMILES notation for 17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen?
The canonical SMILES for 17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen is CC#C[Si]12O[Si]3(C)O[Si]4(C)O[Si]5(C)O[Si](C)(O3)O[Si](C#CC)(O[Si](C)(O5)O[Si](C)(O4)O1)O[Sn](CCCC)(CCCC)O2.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen?
The InChIKey is HFCKIXOASWAHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O13Si8.2C4H9.Sn.6H2/c1-9-11-32(13)22-28(5)16-26(3)15-27(4)18-30(7,20-28)24-33(14,12-10-2)25-31(8,19-27)21-29(6,17-26)23-32;2*1-3-4-2;;;;;;;/h1-8H3;2*1,3-4H2,2H3;;6*1H/q-2;;;+2;;;;;;.
What are the key properties of 17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen?
17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen has a molecular weight of 846.04 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-dibutyl-3,5,7,9,11,13-hexamethyl-1,15-bis(prop-1-ynyl)-2,4,6,8,10,12,14,16,18,19,20,21,22-tridecaoxa-1,3,5,7,9,11,13,15-octasila-17-stannapentacyclo[9.7.1.13,9.15,15.17,13]docosane;molecular hydrogen is sourced from PubChem (CID 158460487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).