2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane

C24H44O6 — CID 14178470

IUPAC2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESC1CCC(C2OCCOCCOCCOCCOCCOC2C2CCCCC2)CC1
InChIInChI=1S/C24H44O6/c1-3-7-21(8-4-1)23-24(22-9-5-2-6-10-22)30-20-18-28-16-14-26-12-11-25-13-15-27-17-19-29-23/h21-24H,1-20H2
InChIKeyJIDAVPPSAKTFMB-UHFFFAOYSA-N
MW428.61 g/mol
LogP4.00
Rot. Bonds2

About 2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane

2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 14178470) has the molecular formula C24H44O6 and a molecular weight of 428.61 g/mol. Its IUPAC name is 2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID14178470
Molecular FormulaC24H44O6
Molecular Weight428.61 g/mol
Exact Mass428.31
IUPAC Name2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESC1CCC(C2OCCOCCOCCOCCOCCOC2C2CCCCC2)CC1
InChIInChI=1S/C24H44O6/c1-3-7-21(8-4-1)23-24(22-9-5-2-6-10-22)30-20-18-28-16-14-26-12-11-25-13-15-27-17-19-29-23/h21-24H,1-20H2
InChIKeyJIDAVPPSAKTFMB-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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Frequently Asked Questions

What is the IUPAC name of 2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 14178470) is 2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane is C1CCC(C2OCCOCCOCCOCCOCCOC2C2CCCCC2)CC1.
What is the InChIKey of 2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is JIDAVPPSAKTFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O6/c1-3-7-21(8-4-1)23-24(22-9-5-2-6-10-22)30-20-18-28-16-14-26-12-11-25-13-15-27-17-19-29-23/h21-24H,1-20H2.
What are the key properties of 2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane?
2,3-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 2,3-dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 14178470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).