2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane

C20H42 — CID 86018360

IUPAC2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane
SMILESCC(C)C(C(C)C)(C(C)C)C(C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H42/c1-13(2)19(14(3)4,15(5)6)20(16(7)8,17(9)10)18(11)12/h13-18H,1-12H3
InChIKeyAZGPDYSOKVENSR-UHFFFAOYSA-N
MW282.56 g/mol
LogP6.90
Rot. Bonds7

About 2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane

2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane (PubChem CID 86018360) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane.

Molecular Properties

Compound Name2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane
PubChem CID86018360
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane
SMILESCC(C)C(C(C)C)(C(C)C)C(C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H42/c1-13(2)19(14(3)4,15(5)6)20(16(7)8,17(9)10)18(11)12/h13-18H,1-12H3
InChIKeyAZGPDYSOKVENSR-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)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-3,3,4,4-tetra(propan-2-yl)hexane?
The IUPAC name of 2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane (CID 86018360) is 2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane.
What is the SMILES notation for 2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane?
The canonical SMILES for 2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane is CC(C)C(C(C)C)(C(C)C)C(C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane?
The InChIKey is AZGPDYSOKVENSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-13(2)19(14(3)4,15(5)6)20(16(7)8,17(9)10)18(11)12/h13-18H,1-12H3.
What are the key properties of 2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane?
2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane has a molecular weight of 282.56 g/mol, XLogP of 6.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane is sourced from PubChem (CID 86018360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).