CID 158013726

C24H60O12Si4 — CID 158013726

IUPACtrimethoxy(6-trimethoxysilylhexyl)silane
SMILESCO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC.CO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/2C12H30O6Si2/c2*1-13-19(14-2,15-3)11-9-7-8-10-12-20(16-4,17-5)18-6/h2*7-12H2,1-6H3
InChIKeyFFFBUWAIBNBHAL-UHFFFAOYSA-N
MW653.10 g/mol
LogP—
Rot. Bonds26

About CID 158013726

CID 158013726 (PubChem CID 158013726) has the molecular formula C24H60O12Si4 and a molecular weight of 653.10 g/mol. Its IUPAC name is trimethoxy(6-trimethoxysilylhexyl)silane.

Molecular Properties

Compound NameCID 158013726
PubChem CID158013726
Molecular FormulaC24H60O12Si4
Molecular Weight653.10 g/mol
Exact Mass652.32
IUPAC Nametrimethoxy(6-trimethoxysilylhexyl)silane
SMILESCO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC.CO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/2C12H30O6Si2/c2*1-13-19(14-2,15-3)11-9-7-8-10-12-20(16-4,17-5)18-6/h2*7-12H2,1-6H3
InChIKeyFFFBUWAIBNBHAL-UHFFFAOYSA-N
XLogP—
TPSA111.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms40
Complexity193

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158013726?
The IUPAC name of CID 158013726 (CID 158013726) is trimethoxy(6-trimethoxysilylhexyl)silane.
What is the SMILES notation for CID 158013726?
The canonical SMILES for CID 158013726 is CO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC.CO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of CID 158013726?
The InChIKey is FFFBUWAIBNBHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H30O6Si2/c2*1-13-19(14-2,15-3)11-9-7-8-10-12-20(16-4,17-5)18-6/h2*7-12H2,1-6H3.
What are the key properties of CID 158013726?
CID 158013726 has a molecular weight of 653.10 g/mol, XLogP of not available, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158013726 is sourced from PubChem (CID 158013726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).