2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane

C16H34O2 — CID 3028563

IUPAC2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane
SMILESCC(C)(C)OC(C)(C)CCC(C)(C)OC(C)(C)C
InChIInChI=1S/C16H34O2/c1-13(2,3)17-15(7,8)11-12-16(9,10)18-14(4,5)6/h11-12H2,1-10H3
InChIKeyTZUHRPKXUADVEM-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.95
Rot. Bonds5

About 2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane

2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 3028563) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane
PubChem CID3028563
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane
SMILESCC(C)(C)OC(C)(C)CCC(C)(C)OC(C)(C)C
InChIInChI=1S/C16H34O2/c1-13(2,3)17-15(7,8)11-12-16(9,10)18-14(4,5)6/h11-12H2,1-10H3
InChIKeyTZUHRPKXUADVEM-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane 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 2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of 2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane (CID 3028563) is 2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for 2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for 2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane is CC(C)(C)OC(C)(C)CCC(C)(C)OC(C)(C)C.
What is the InChIKey of 2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is TZUHRPKXUADVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-13(2,3)17-15(7,8)11-12-16(9,10)18-14(4,5)6/h11-12H2,1-10H3.
What are the key properties of 2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane?
2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 258.45 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 3028563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).