2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane

C20H38O4 — CID 57290216

IUPAC2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane
SMILESCCCC(C)(C)C[C@@H](OC1CCCCO1)[C@@H](C)OC1CCCCO1
InChIInChI=1S/C20H38O4/c1-5-12-20(3,4)15-17(24-19-11-7-9-14-22-19)16(2)23-18-10-6-8-13-21-18/h16-19H,5-15H2,1-4H3/t16-,17-,18?,19?/m1/s1
InChIKeyWTRCAXXEFJMCPC-YYZRRKBYSA-N
MW342.52 g/mol
LogP5.05
Rot. Bonds9

About 2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane

2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane (PubChem CID 57290216) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane
PubChem CID57290216
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane
SMILESCCCC(C)(C)C[C@@H](OC1CCCCO1)[C@@H](C)OC1CCCCO1
InChIInChI=1S/C20H38O4/c1-5-12-20(3,4)15-17(24-19-11-7-9-14-22-19)16(2)23-18-10-6-8-13-21-18/h16-19H,5-15H2,1-4H3/t16-,17-,18?,19?/m1/s1
InChIKeyWTRCAXXEFJMCPC-YYZRRKBYSA-N
XLogP5.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane 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-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane?
The IUPAC name of 2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane (CID 57290216) is 2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane.
What is the SMILES notation for 2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane?
The canonical SMILES for 2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane is CCCC(C)(C)C[C@@H](OC1CCCCO1)[C@@H](C)OC1CCCCO1.
What is the InChIKey of 2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane?
The InChIKey is WTRCAXXEFJMCPC-YYZRRKBYSA-N. The full InChI is InChI=1S/C20H38O4/c1-5-12-20(3,4)15-17(24-19-11-7-9-14-22-19)16(2)23-18-10-6-8-13-21-18/h16-19H,5-15H2,1-4H3/t16-,17-,18?,19?/m1/s1.
What are the key properties of 2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane?
2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane has a molecular weight of 342.52 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-5,5-dimethyl-2-(oxan-2-yloxy)octan-3-yl]oxyoxane is sourced from PubChem (CID 57290216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).