2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane

C24H44O6 — CID 15642146

IUPAC2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESC1CCC(C2COCCOCCOCCOCCOC(C3CCCCC3)CO2)CC1
InChIInChI=1S/C24H44O6/c1-3-7-21(8-4-1)23-19-28-16-15-26-12-11-25-13-14-27-17-18-29-24(20-30-23)22-9-5-2-6-10-22/h21-24H,1-20H2
InChIKeyDTCOOGWAKGIUQB-UHFFFAOYSA-N
MW428.61 g/mol
LogP4.00
Rot. Bonds2

About 2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane

2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 15642146) has the molecular formula C24H44O6 and a molecular weight of 428.61 g/mol. Its IUPAC name is 2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID15642146
Molecular FormulaC24H44O6
Molecular Weight428.61 g/mol
Exact Mass428.31
IUPAC Name2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESC1CCC(C2COCCOCCOCCOCCOC(C3CCCCC3)CO2)CC1
InChIInChI=1S/C24H44O6/c1-3-7-21(8-4-1)23-19-28-16-15-26-12-11-25-13-14-27-17-18-29-24(20-30-23)22-9-5-2-6-10-22/h21-24H,1-20H2
InChIKeyDTCOOGWAKGIUQB-UHFFFAOYSA-N
XLogP4.00
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,1'-Methylenebis(4-(2,3-epoxypropoxy)cyclohexane)
CID 101011
Dicyclohexyl 21-crown-7
CID 155593
2,2-Dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 20360544
Ethylcyclohexylmethylether
CID 21252154
3-(3-Cyclohexylpropoxy)propylcyclohexane
CID 345940
(2-Cyclohexylethoxy)cyclohexane
CID 129854974
[(1R)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane
CID 135036831
(1S,2S)-1,2-dicyclohexyl-1,2-dimethoxyethane
CID 172635704
4-Cyclohexylbutoxycyclohexane
CID 251169
Cyclohexyl dioxane
CID 13978129
2,3-Dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 14178470
1-(2-Methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 14439038

Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 15642146) is 2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane is C1CCC(C2COCCOCCOCCOCCOC(C3CCCCC3)CO2)CC1.
What is the InChIKey of 2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is DTCOOGWAKGIUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O6/c1-3-7-21(8-4-1)23-19-28-16-15-26-12-11-25-13-14-27-17-18-29-24(20-30-23)22-9-5-2-6-10-22/h21-24H,1-20H2.
What are the key properties of 2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 428.61 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 15642146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).