(2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene

C17H28 — CID 22369928

IUPAC(2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene
SMILESCC(C)CC(c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C17H28/c1-13(2)12-17(14(3)4,15(5)6)16-10-8-7-9-11-16/h7-11,13-15H,12H2,1-6H3
InChIKeyWPVVXEVSWQXQGA-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.28
Rot. Bonds5

About (2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene

(2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene (PubChem CID 22369928) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is (2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene.

Molecular Properties

Compound Name(2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene
PubChem CID22369928
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name(2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene
SMILESCC(C)CC(c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C17H28/c1-13(2)12-17(14(3)4,15(5)6)16-10-8-7-9-11-16/h7-11,13-15H,12H2,1-6H3
InChIKeyWPVVXEVSWQXQGA-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5-trimethylhexan-3-ylbenzene
CID 123149580
(4-methyl-3-phenyl-3-propan-2-ylpentoxy)silane
CID 123528227
(2-fluoro-3,3,5-trimethylhexan-2-yl)benzene
CID 155030770
[(3S)-3,5-dimethylhex-1-yn-3-yl]benzene
CID 134861944
(2-tert-butylperoxy-4-methylpentan-2-yl)benzene
CID 54108901
(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
CID 13047702
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
CID 142581096
4-amino-3-phenyl-3-propan-2-ylhexan-1-ol
CID 66090564
2-(aminomethyl)-4-methyl-2-phenylpentan-1-ol
CID 106508028
2-(dimethylamino)-4-methyl-2-phenylpentanoic acid
CID 43803067
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid
CID 43803766

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene?
The IUPAC name of (2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene (CID 22369928) is (2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene.
What is the SMILES notation for (2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene?
The canonical SMILES for (2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene is CC(C)CC(c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene?
The InChIKey is WPVVXEVSWQXQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-13(2)12-17(14(3)4,15(5)6)16-10-8-7-9-11-16/h7-11,13-15H,12H2,1-6H3.
What are the key properties of (2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene?
(2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene has a molecular weight of 232.41 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene is sourced from PubChem (CID 22369928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).