trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane

C18H38O6S6Si2 — CID 54309543

IUPACtrimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane
SMILESCO[Si](OC)(OC)C1CCCC(SSSSSSC2CCCC([Si](OC)(OC)OC)C2)C1
InChIInChI=1S/C18H38O6S6Si2/c1-19-31(20-2,21-3)17-11-7-9-15(13-17)25-27-29-30-28-26-16-10-8-12-18(14-16)32(22-4,23-5)24-6/h15-18H,7-14H2,1-6H3
InChIKeySJXWTRNRFMLENM-UHFFFAOYSA-N
MW599.07 g/mol
LogP7.34
Rot. Bonds15

About trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane

trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane (PubChem CID 54309543) has the molecular formula C18H38O6S6Si2 and a molecular weight of 599.07 g/mol. Its IUPAC name is trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane
PubChem CID54309543
Molecular FormulaC18H38O6S6Si2
Molecular Weight599.07 g/mol
Exact Mass598.05
IUPAC Nametrimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane
SMILESCO[Si](OC)(OC)C1CCCC(SSSSSSC2CCCC([Si](OC)(OC)OC)C2)C1
InChIInChI=1S/C18H38O6S6Si2/c1-19-31(20-2,21-3)17-11-7-9-15(13-17)25-27-29-30-28-26-16-10-8-12-18(14-16)32(22-4,23-5)24-6/h15-18H,7-14H2,1-6H3
InChIKeySJXWTRNRFMLENM-UHFFFAOYSA-N
XLogP7.34
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500599.07
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl(trimethoxy)silane
CID 159078583
trimethoxy-[2-[(1R,3S)-3-trimethoxysilylcyclohexyl]ethyl]silane
CID 102572959
trimethoxy-(3-trimethoxysilylcyclobutyl)silane
CID 59245596
trimethoxy-(4-trimethoxysilylcyclohexyl)silane
CID 142667269
cyclobutyl-cyclohexyl-dimethoxysilane
CID 18624897
cyclohex-2-en-1-yl(trimethoxy)silane
CID 71278488
cyclobutyl-ethyl-dimethoxysilane
CID 18624914
3-methylsulfanylcyclohexan-1-amine
CID 54594178
(cyclohexyltrisulfanyl)cyclohexane
CID 86176414
cyclodecyl-cyclohexyl-dimethoxysilane
CID 139768404
cyclohexyl-(3,5-dimethylcyclohexyl)-dimethoxysilane
CID 22569072
(4-ethylcyclohexyl)-trimethoxysilane
CID 139673302

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane?
The IUPAC name of trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane (CID 54309543) is trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane.
What is the SMILES notation for trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane?
The canonical SMILES for trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane is CO[Si](OC)(OC)C1CCCC(SSSSSSC2CCCC([Si](OC)(OC)OC)C2)C1.
What is the InChIKey of trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane?
The InChIKey is SJXWTRNRFMLENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O6S6Si2/c1-19-31(20-2,21-3)17-11-7-9-15(13-17)25-27-29-30-28-26-16-10-8-12-18(14-16)32(22-4,23-5)24-6/h15-18H,7-14H2,1-6H3.
What are the key properties of trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane?
trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane has a molecular weight of 599.07 g/mol, XLogP of 7.34, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-[(3-trimethoxysilylcyclohexyl)hexasulfanyl]cyclohexyl]silane is sourced from PubChem (CID 54309543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).