2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane

C21H40O6 — CID 142266133

IUPAC2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCC1(C)CCC(CC2COCCOCCOCCOCCOCCO2)CC1
InChIInChI=1S/C21H40O6/c1-21(2)5-3-19(4-6-21)17-20-18-26-14-13-24-10-9-22-7-8-23-11-12-25-15-16-27-20/h19-20H,3-18H2,1-2H3
InChIKeyMAUWPPPSARNETC-UHFFFAOYSA-N
MW388.55 g/mol
LogP3.07
Rot. Bonds2

About 2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane

2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 142266133) has the molecular formula C21H40O6 and a molecular weight of 388.55 g/mol. Its IUPAC name is 2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID142266133
Molecular FormulaC21H40O6
Molecular Weight388.55 g/mol
Exact Mass388.28
IUPAC Name2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCC1(C)CCC(CC2COCCOCCOCCOCCOCCO2)CC1
InChIInChI=1S/C21H40O6/c1-21(2)5-3-19(4-6-21)17-20-18-26-14-13-24-10-9-22-7-8-23-11-12-25-15-16-27-20/h19-20H,3-18H2,1-2H3
InChIKeyMAUWPPPSARNETC-UHFFFAOYSA-N
XLogP3.07
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 142266133) is 2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane is CC1(C)CCC(CC2COCCOCCOCCOCCOCCO2)CC1.
What is the InChIKey of 2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is MAUWPPPSARNETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O6/c1-21(2)5-3-19(4-6-21)17-20-18-26-14-13-24-10-9-22-7-8-23-11-12-25-15-16-27-20/h19-20H,3-18H2,1-2H3.
What are the key properties of 2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane?
2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 388.55 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 142266133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).