(4,4-dimethyl-2-phenylhexan-2-yl)benzene

C20H26 — CID 59841354

IUPAC(4,4-dimethyl-2-phenylhexan-2-yl)benzene
SMILESCCC(C)(C)CC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26/c1-5-19(2,3)16-20(4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3
InChIKeyGDWCCPQILQYPLX-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.82
Rot. Bonds5

About (4,4-dimethyl-2-phenylhexan-2-yl)benzene

(4,4-dimethyl-2-phenylhexan-2-yl)benzene (PubChem CID 59841354) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is (4,4-dimethyl-2-phenylhexan-2-yl)benzene.

Molecular Properties

Compound Name(4,4-dimethyl-2-phenylhexan-2-yl)benzene
PubChem CID59841354
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name(4,4-dimethyl-2-phenylhexan-2-yl)benzene
SMILESCCC(C)(C)CC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26/c1-5-19(2,3)16-20(4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3
InChIKeyGDWCCPQILQYPLX-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
1,3-bis(2-phenylbutan-2-yl)benzene;methane
CID 144908035
CID 155661823
CID 155661823
ethane;3-methylpentan-3-ylbenzene
CID 90745317
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene
CID 173279363
triphenyl(2,4,4-trimethylhexan-2-yl)phosphanium
CID 144736397
1-phenoxy-4-(2,4,4-trimethylhexan-2-yl)benzene
CID 123620932
CID 155661829
CID 155661829
3,3,4,5,5-pentamethylheptan-4-ylbenzene
CID 144815892
[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene
CID 23018909
2,4,4-trimethylhexan-2-yloxymethylbenzene
CID 123305221

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-phenylhexan-2-yl)benzene?
The IUPAC name of (4,4-dimethyl-2-phenylhexan-2-yl)benzene (CID 59841354) is (4,4-dimethyl-2-phenylhexan-2-yl)benzene.
What is the SMILES notation for (4,4-dimethyl-2-phenylhexan-2-yl)benzene?
The canonical SMILES for (4,4-dimethyl-2-phenylhexan-2-yl)benzene is CCC(C)(C)CC(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4,4-dimethyl-2-phenylhexan-2-yl)benzene?
The InChIKey is GDWCCPQILQYPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-5-19(2,3)16-20(4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3.
What are the key properties of (4,4-dimethyl-2-phenylhexan-2-yl)benzene?
(4,4-dimethyl-2-phenylhexan-2-yl)benzene has a molecular weight of 266.43 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2-phenylhexan-2-yl)benzene is sourced from PubChem (CID 59841354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).