[1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane

C18H36O2Si — CID 173197530

IUPAC[1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane
SMILESCCO[SiH](OCC)C1(C2CC(C)CC(C)C2)CCCCC1
InChIInChI=1S/C18H36O2Si/c1-5-19-21(20-6-2)18(10-8-7-9-11-18)17-13-15(3)12-16(4)14-17/h15-17,21H,5-14H2,1-4H3
InChIKeyBHHCYISZTBDOPV-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.06
Rot. Bonds6

About [1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane

[1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane (PubChem CID 173197530) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is [1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane.

Molecular Properties

Compound Name[1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane
PubChem CID173197530
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name[1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane
SMILESCCO[SiH](OCC)C1(C2CC(C)CC(C)C2)CCCCC1
InChIInChI=1S/C18H36O2Si/c1-5-19-21(20-6-2)18(10-8-7-9-11-18)17-13-15(3)12-16(4)14-17/h15-17,21H,5-14H2,1-4H3
InChIKeyBHHCYISZTBDOPV-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(3,5-dimethylcyclohexyl)cyclohexyl]-dimethoxysilane
CID 173107708
[1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane
CID 173197514
1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid
CID 80611832
dimethoxy-[1-(4-methylcyclohexyl)cyclopentyl]silane
CID 173107757
(1,2-dimethylcyclobutyl)-diethoxysilane
CID 123348766
2-(3,5-dimethylcyclohexyl)-2-propylazepane
CID 79118559
diethoxy-(1-propylcyclobutyl)silane
CID 174898860
cyclobutane;bis(1,3-dimethylcyclobutane);methanamine
CID 159698957
8-(3,5-dimethylcyclohexyl)spiro[4.5]decan-8-ol
CID 114819192
(3,5-dimethylcyclohexyl) 1-(aminomethyl)cycloheptane-1-carboxylate
CID 115444649
3,7-dimethyl-5-(1-methylcycloundecyl)azocane
CID 155407572
2-ethyl-2-(3-methylcyclobutyl)bicyclo[1.1.0]butane
CID 123750817

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane?
The IUPAC name of [1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane (CID 173197530) is [1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane.
What is the SMILES notation for [1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane?
The canonical SMILES for [1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane is CCO[SiH](OCC)C1(C2CC(C)CC(C)C2)CCCCC1.
What is the InChIKey of [1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane?
The InChIKey is BHHCYISZTBDOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-5-19-21(20-6-2)18(10-8-7-9-11-18)17-13-15(3)12-16(4)14-17/h15-17,21H,5-14H2,1-4H3.
What are the key properties of [1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane?
[1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane has a molecular weight of 312.57 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane is sourced from PubChem (CID 173197530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).