[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene

C29H36 — CID 18739287

IUPAC[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
SMILESCCC(C)(CC(C)(CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36/c1-6-28(4,25-18-12-8-13-19-25)23-29(5,26-20-14-9-15-21-26)22-27(2,3)24-16-10-7-11-17-24/h7-21H,6,22-23H2,1-5H3
InChIKeyMZFDZENUOMYYOO-UHFFFAOYSA-N
MW384.61 g/mol
LogP8.07
Rot. Bonds8

About [4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene

[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene (PubChem CID 18739287) has the molecular formula C29H36 and a molecular weight of 384.61 g/mol. Its IUPAC name is [4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene.

Molecular Properties

Compound Name[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
PubChem CID18739287
Molecular FormulaC29H36
Molecular Weight384.61 g/mol
Exact Mass384.28
IUPAC Name[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
SMILESCCC(C)(CC(C)(CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36/c1-6-28(4,25-18-12-8-13-19-25)23-29(5,26-20-14-9-15-21-26)22-27(2,3)24-16-10-7-11-17-24/h7-21H,6,22-23H2,1-5H3
InChIKeyMZFDZENUOMYYOO-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene
CID 20612915
(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
CID 90935976
ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
CID 91457518
ethane;3-methylpentan-3-ylbenzene
CID 90745317
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
CID 158792811
CID 158792811
(4-chloro-2,4-dimethylpentan-2-yl)benzene
CID 13095883
methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene
CID 144516441
3,3,4,5,5-pentamethylheptan-4-ylbenzene
CID 144815892
1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene
CID 59456240
(3-ethyl-4,4-dimethylhexan-3-yl)benzene
CID 147184303
formic acid;2-methylbutan-2-ylbenzene
CID 158175832

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene?
The IUPAC name of [4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene (CID 18739287) is [4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene.
What is the SMILES notation for [4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene?
The canonical SMILES for [4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene is CCC(C)(CC(C)(CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene?
The InChIKey is MZFDZENUOMYYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36/c1-6-28(4,25-18-12-8-13-19-25)23-29(5,26-20-14-9-15-21-26)22-27(2,3)24-16-10-7-11-17-24/h7-21H,6,22-23H2,1-5H3.
What are the key properties of [4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene?
[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene has a molecular weight of 384.61 g/mol, XLogP of 8.07, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene is sourced from PubChem (CID 18739287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).