3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine

C22H41NO7 — CID 91228300

IUPAC3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine
SMILESCCOC1C(OC)CC(C2CC(C3CC(OC)C(OC)C(OC)C3)ON2)CC1OC
InChIInChI=1S/C22H41NO7/c1-7-29-22-19(26-4)8-13(9-20(22)27-5)15-12-16(30-23-15)14-10-17(24-2)21(28-6)18(11-14)25-3/h13-23H,7-12H2,1-6H3
InChIKeyHHZWFORXLNGBJO-UHFFFAOYSA-N
MW431.57 g/mol
LogP1.95
Rot. Bonds9

About 3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine

3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine (PubChem CID 91228300) has the molecular formula C22H41NO7 and a molecular weight of 431.57 g/mol. Its IUPAC name is 3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine.

Molecular Properties

Compound Name3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine
PubChem CID91228300
Molecular FormulaC22H41NO7
Molecular Weight431.57 g/mol
Exact Mass431.29
IUPAC Name3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine
SMILESCCOC1C(OC)CC(C2CC(C3CC(OC)C(OC)C(OC)C3)ON2)CC1OC
InChIInChI=1S/C22H41NO7/c1-7-29-22-19(26-4)8-13(9-20(22)27-5)15-12-16(30-23-15)14-10-17(24-2)21(28-6)18(11-14)25-3/h13-23H,7-12H2,1-6H3
InChIKeyHHZWFORXLNGBJO-UHFFFAOYSA-N
XLogP1.95
TPSA76.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine?
The IUPAC name of 3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine (CID 91228300) is 3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine.
What is the SMILES notation for 3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine?
The canonical SMILES for 3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine is CCOC1C(OC)CC(C2CC(C3CC(OC)C(OC)C(OC)C3)ON2)CC1OC.
What is the InChIKey of 3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine?
The InChIKey is HHZWFORXLNGBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO7/c1-7-29-22-19(26-4)8-13(9-20(22)27-5)15-12-16(30-23-15)14-10-17(24-2)21(28-6)18(11-14)25-3/h13-23H,7-12H2,1-6H3.
What are the key properties of 3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine?
3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine has a molecular weight of 431.57 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3,5-dimethoxycyclohexyl)-5-(3,4,5-trimethoxycyclohexyl)-1,2-oxazolidine is sourced from PubChem (CID 91228300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).