ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene

C34H52O2 — CID 91457518

IUPACethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
SMILESCC.CCC(C)(CC(C)(CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1.CO.COC
InChIInChI=1S/C29H36.C2H6O.C2H6.CH4O/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;1-3-2;2*1-2/h7-21H,6,22-23H2,1-5H3;1-2H3;1-2H3;2H,1H3
InChIKeyJOPWXSVRDGPAEJ-UHFFFAOYSA-N
MW492.79 g/mol
LogP8.97
Rot. Bonds8

About ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene

ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene (PubChem CID 91457518) has the molecular formula C34H52O2 and a molecular weight of 492.79 g/mol. Its IUPAC name is ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene.

Molecular Properties

Compound Nameethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
PubChem CID91457518
Molecular FormulaC34H52O2
Molecular Weight492.79 g/mol
Exact Mass492.40
IUPAC Nameethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
SMILESCC.CCC(C)(CC(C)(CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1.CO.COC
InChIInChI=1S/C29H36.C2H6O.C2H6.CH4O/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;1-3-2;2*1-2/h7-21H,6,22-23H2,1-5H3;1-2H3;1-2H3;2H,1H3
InChIKeyJOPWXSVRDGPAEJ-UHFFFAOYSA-N
XLogP8.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.79
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-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

[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
CID 18739287
(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
CID 90935976
[2-(2,4-dimethyl-2,4-diphenylpentyl)-5,7-dimethyl-5,7-diphenylnonan-2-yl]benzene
CID 20612915
ethane;3-methylpentan-3-ylbenzene
CID 90745317
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
CID 158792811
CID 158792811
[4-hydroperoxy-4-(2-hydroperoxy-4-methyl-4-phenylpentan-2-yl)peroxy-2-methylpentan-2-yl]benzene
CID 21406617
(4-chloro-2,4-dimethylpentan-2-yl)benzene
CID 13095883
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
methyl 2-amino-2,4-dimethyl-4-phenylpentanoate
CID 14899524
methyl 2-[(1-methoxy-2,4-dimethyl-1-oxo-4-phenylpentan-2-yl)diazenyl]-2,4-dimethyl-4-phenylpentanoate
CID 14899540
methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene
CID 144516441

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene?
The IUPAC name of ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene (CID 91457518) is ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene.
What is the SMILES notation for ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene?
The canonical SMILES for ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene is CC.CCC(C)(CC(C)(CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1.CO.COC.
What is the InChIKey of ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene?
The InChIKey is JOPWXSVRDGPAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36.C2H6O.C2H6.CH4O/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;1-3-2;2*1-2/h7-21H,6,22-23H2,1-5H3;1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene?
ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene has a molecular weight of 492.79 g/mol, XLogP of 8.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;methoxymethane;[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene is sourced from PubChem (CID 91457518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).