2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane

C20H38O7 — CID 20522440

IUPAC2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane
SMILESC1CCC(C2COCCOCCOCCOCCOCCOCCO2)CC1
InChIInChI=1S/C20H38O7/c1-2-4-19(5-3-1)20-18-26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-27-20/h19-20H,1-18H2
InChIKeyRUHRUMDCLJYLHI-UHFFFAOYSA-N
MW390.52 g/mol
LogP2.07
Rot. Bonds1

About 2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane

2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane (PubChem CID 20522440) has the molecular formula C20H38O7 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane.

Molecular Properties

Compound Name2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane
PubChem CID20522440
Molecular FormulaC20H38O7
Molecular Weight390.52 g/mol
Exact Mass390.26
IUPAC Name2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane
SMILESC1CCC(C2COCCOCCOCCOCCOCCOCCO2)CC1
InChIInChI=1S/C20H38O7/c1-2-4-19(5-3-1)20-18-26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-27-20/h19-20H,1-18H2
InChIKeyRUHRUMDCLJYLHI-UHFFFAOYSA-N
XLogP2.07
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane?
The IUPAC name of 2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane (CID 20522440) is 2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane.
What is the SMILES notation for 2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane?
The canonical SMILES for 2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane is C1CCC(C2COCCOCCOCCOCCOCCOCCO2)CC1.
What is the InChIKey of 2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane?
The InChIKey is RUHRUMDCLJYLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O7/c1-2-4-19(5-3-1)20-18-26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-27-20/h19-20H,1-18H2.
What are the key properties of 2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane?
2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane has a molecular weight of 390.52 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane is sourced from PubChem (CID 20522440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).