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

C28H50 — CID 90935976

IUPAC(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
SMILESCC.CC.CC.CC.CCC(C)(CC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26.4C2H6/c1-5-20(4,18-14-10-7-11-15-18)16-19(2,3)17-12-8-6-9-13-17;4*1-2/h6-15H,5,16H2,1-4H3;4*1-2H3
InChIKeyNBUDYPJODYJQCL-UHFFFAOYSA-N
MW386.71 g/mol
LogP9.83
Rot. Bonds5

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

(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane (PubChem CID 90935976) has the molecular formula C28H50 and a molecular weight of 386.71 g/mol. Its IUPAC name is (2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane.

Molecular Properties

Compound Name(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
PubChem CID90935976
Molecular FormulaC28H50
Molecular Weight386.71 g/mol
Exact Mass386.39
IUPAC Name(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
SMILESCC.CC.CC.CC.CCC(C)(CC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26.4C2H6/c1-5-20(4,18-14-10-7-11-15-18)16-19(2,3)17-12-8-6-9-13-17;4*1-2/h6-15H,5,16H2,1-4H3;4*1-2H3
InChIKeyNBUDYPJODYJQCL-UHFFFAOYSA-N
XLogP9.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
CID 18739287
[2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene
CID 20612915
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
(3-ethyl-4,4-dimethylhexan-3-yl)benzene
CID 147184303
2-chlorobutan-2-ylbenzene;ethane
CID 123404536
formic acid;2-methylbutan-2-ylbenzene
CID 158175832

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane?
The IUPAC name of (2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane (CID 90935976) is (2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane.
What is the SMILES notation for (2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane?
The canonical SMILES for (2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane is CC.CC.CC.CC.CCC(C)(CC(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane?
The InChIKey is NBUDYPJODYJQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26.4C2H6/c1-5-20(4,18-14-10-7-11-15-18)16-19(2,3)17-12-8-6-9-13-17;4*1-2/h6-15H,5,16H2,1-4H3;4*1-2H3.
What are the key properties of (2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane?
(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane has a molecular weight of 386.71 g/mol, XLogP of 9.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane is sourced from PubChem (CID 90935976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).