2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane

C21H42O8Si — CID 163773600

IUPAC2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane
SMILESC[Si]1(C2CCCCC2)OCCOCCOCCOCCOCCOCCOCCO1
InChIInChI=1S/C21H42O8Si/c1-30(21-5-3-2-4-6-21)28-19-17-26-15-13-24-11-9-22-7-8-23-10-12-25-14-16-27-18-20-29-30/h21H,2-20H2,1H3
InChIKeyIGMATYSTXBHWJN-UHFFFAOYSA-N
MW450.65 g/mol
LogP2.54
Rot. Bonds1

About 2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane

2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane (PubChem CID 163773600) has the molecular formula C21H42O8Si and a molecular weight of 450.65 g/mol. Its IUPAC name is 2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane.

Molecular Properties

Compound Name2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane
PubChem CID163773600
Molecular FormulaC21H42O8Si
Molecular Weight450.65 g/mol
Exact Mass450.26
IUPAC Name2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane
SMILESC[Si]1(C2CCCCC2)OCCOCCOCCOCCOCCOCCOCCO1
InChIInChI=1S/C21H42O8Si/c1-30(21-5-3-2-4-6-21)28-19-17-26-15-13-24-11-9-22-7-8-23-10-12-25-14-16-27-18-20-29-30/h21H,2-20H2,1H3
InChIKeyIGMATYSTXBHWJN-UHFFFAOYSA-N
XLogP2.54
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.65
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine
CID 25228306
2,6-dicyclohexyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 175419281
cyclobutane;1,4-dioxane
CID 160886837
28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane
CID 25259779
1,3-dicyclohexyl-1,3-dimethyl-1,3-disiletane
CID 155899508
ethane;methylcyclohexane;oxane
CID 143182173
2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane
CID 140681788
cyclohexane;4-methyloxane
CID 144563977
1,4-dioxane;7-oxabicyclo[4.1.0]heptane
CID 174406152
1,4,7-trioxacyclotridecane
CID 118017817
2,2,3-trimethyloxasilepane
CID 22966650
(1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
CID 10959677

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane?
The IUPAC name of 2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane (CID 163773600) is 2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane.
What is the SMILES notation for 2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane?
The canonical SMILES for 2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane is C[Si]1(C2CCCCC2)OCCOCCOCCOCCOCCOCCOCCO1.
What is the InChIKey of 2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane?
The InChIKey is IGMATYSTXBHWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O8Si/c1-30(21-5-3-2-4-6-21)28-19-17-26-15-13-24-11-9-22-7-8-23-10-12-25-14-16-27-18-20-29-30/h21H,2-20H2,1H3.
What are the key properties of 2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane?
2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane has a molecular weight of 450.65 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane is sourced from PubChem (CID 163773600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).