trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane

C21H42O3Si — CID 20632249

IUPACtrimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane
SMILESCCCCCC1CCC(C2CCC(C[Si](OC)(OC)OC)CC2)CC1
InChIInChI=1S/C21H42O3Si/c1-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(12-16-21)17-25(22-2,23-3)24-4/h18-21H,5-17H2,1-4H3
InChIKeyRGMXTWHAGMQMCU-UHFFFAOYSA-N
MW370.65 g/mol
LogP6.06
Rot. Bonds10

About trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane

trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane (PubChem CID 20632249) has the molecular formula C21H42O3Si and a molecular weight of 370.65 g/mol. Its IUPAC name is trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane.

Molecular Properties

Compound Nametrimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane
PubChem CID20632249
Molecular FormulaC21H42O3Si
Molecular Weight370.65 g/mol
Exact Mass370.29
IUPAC Nametrimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane
SMILESCCCCCC1CCC(C2CCC(C[Si](OC)(OC)OC)CC2)CC1
InChIInChI=1S/C21H42O3Si/c1-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(12-16-21)17-25(22-2,23-3)24-4/h18-21H,5-17H2,1-4H3
InChIKeyRGMXTWHAGMQMCU-UHFFFAOYSA-N
XLogP6.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
4-(4-pentylcyclohexyl)cyclohexan-1-amine
CID 86168777
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
1-heptyl-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19850398
hexane;pentylcyclopropane
CID 159592467
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
[4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate
CID 140827405
tetradecane;undecylcyclopropane
CID 173215670

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane?
The IUPAC name of trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane (CID 20632249) is trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane.
What is the SMILES notation for trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane?
The canonical SMILES for trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane is CCCCCC1CCC(C2CCC(C[Si](OC)(OC)OC)CC2)CC1.
What is the InChIKey of trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane?
The InChIKey is RGMXTWHAGMQMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O3Si/c1-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(12-16-21)17-25(22-2,23-3)24-4/h18-21H,5-17H2,1-4H3.
What are the key properties of trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane?
trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane has a molecular weight of 370.65 g/mol, XLogP of 6.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane is sourced from PubChem (CID 20632249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).