trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane

C20H52O12Si4 — CID 87481356

IUPACtrimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane
SMILESCO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC.CO[Si](OC)(OC)C(C)[Si](OC)(OC)OC
InChIInChI=1S/C12H30O6Si2.C8H22O6Si2/c1-13-19(14-2,15-3)11-9-7-8-10-12-20(16-4,17-5)18-6;1-8(15(9-2,10-3)11-4)16(12-5,13-6)14-7/h7-12H2,1-6H3;8H,1-7H3
InChIKeyNOMVHEJJZIINHX-UHFFFAOYSA-N
MW596.97 g/mol
LogP2.97
Rot. Bonds21

About trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane

trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane (PubChem CID 87481356) has the molecular formula C20H52O12Si4 and a molecular weight of 596.97 g/mol. Its IUPAC name is trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane.

Molecular Properties

Compound Nametrimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane
PubChem CID87481356
Molecular FormulaC20H52O12Si4
Molecular Weight596.97 g/mol
Exact Mass596.25
IUPAC Nametrimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane
SMILESCO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC.CO[Si](OC)(OC)C(C)[Si](OC)(OC)OC
InChIInChI=1S/C12H30O6Si2.C8H22O6Si2/c1-13-19(14-2,15-3)11-9-7-8-10-12-20(16-4,17-5)18-6;1-8(15(9-2,10-3)11-4)16(12-5,13-6)14-7/h7-12H2,1-6H3;8H,1-7H3
InChIKeyNOMVHEJJZIINHX-UHFFFAOYSA-N
XLogP2.97
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.97
LogP ≤ 52.97
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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Related Compounds

trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
31-trimethoxysilylhentriacontan-1-ol
CID 87684107
25-bromopentacosyl(trimethoxy)silane
CID 87680868
22-bromodocosyl(trimethoxy)silane
CID 87682578
trimethoxy(undecyl)silane;hydrobromide
CID 172731268

Frequently Asked Questions

What is the IUPAC name of trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane?
The IUPAC name of trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane (CID 87481356) is trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane.
What is the SMILES notation for trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane?
The canonical SMILES for trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane is CO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC.CO[Si](OC)(OC)C(C)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane?
The InChIKey is NOMVHEJJZIINHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O6Si2.C8H22O6Si2/c1-13-19(14-2,15-3)11-9-7-8-10-12-20(16-4,17-5)18-6;1-8(15(9-2,10-3)11-4)16(12-5,13-6)14-7/h7-12H2,1-6H3;8H,1-7H3.
What are the key properties of trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane?
trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane has a molecular weight of 596.97 g/mol, XLogP of 2.97, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(1-trimethoxysilylethyl)silane;trimethoxy(6-trimethoxysilylhexyl)silane is sourced from PubChem (CID 87481356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).