[3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene

C38H46O — CID 66849470

IUPAC[3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene
SMILESCC(C)(c1ccccc1)C(OC(C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C38H46O/c1-35(2,29-21-13-9-14-22-29)33(36(3,4)30-23-15-10-16-24-30)39-34(37(5,6)31-25-17-11-18-26-31)38(7,8)32-27-19-12-20-28-32/h9-28,33-34H,1-8H3
InChIKeyATECYOAZCQFKQM-UHFFFAOYSA-N
MW518.79 g/mol
LogP9.65
Rot. Bonds10

About [3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene

[3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene (PubChem CID 66849470) has the molecular formula C38H46O and a molecular weight of 518.79 g/mol. Its IUPAC name is [3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene.

Molecular Properties

Compound Name[3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene
PubChem CID66849470
Molecular FormulaC38H46O
Molecular Weight518.79 g/mol
Exact Mass518.35
IUPAC Name[3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene
SMILESCC(C)(c1ccccc1)C(OC(C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C38H46O/c1-35(2,29-21-13-9-14-22-29)33(36(3,4)30-23-15-10-16-24-30)39-34(37(5,6)31-25-17-11-18-26-31)38(7,8)32-27-19-12-20-28-32/h9-28,33-34H,1-8H3
InChIKeyATECYOAZCQFKQM-UHFFFAOYSA-N
XLogP9.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.79
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(diphenylmethyl) ether
CID 11323
Bis[bis(2-methylphenyl)methyl] ether
CID 4248814
Triphenyl-[6-(2-phenylethoxy)hexyl]phosphanium bromide
CID 168276255
Triphenyl-[12-(2-phenylethoxy)dodecyl]phosphanium bromide
CID 168278429
Triphenyl-[5-(2-phenylethoxy)pentyl]phosphanium bromide
CID 168290504
Boric acid, tris(2-phenylcyclohexyl) ester
CID 21573
Benzyl trityl ether
CID 220137
1,1',1''-[(2-Phenylethoxy)methanetriyl]tribenzene
CID 348613
Benzene, 1,1',1''-[(cyclohexyloxy)methylidyne]tris-
CID 618267
2-Methyl-4,4-diphenyloxolane
CID 24799575
3-Fluoro-3-methyl-5,5-diphenyloxane
CID 122380282
Tris(m-fluorophenyl)methyl diethyl ether
CID 129657375

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene?
The IUPAC name of [3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene (CID 66849470) is [3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene.
What is the SMILES notation for [3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene?
The canonical SMILES for [3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene is CC(C)(c1ccccc1)C(OC(C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1.
What is the InChIKey of [3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene?
The InChIKey is ATECYOAZCQFKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46O/c1-35(2,29-21-13-9-14-22-29)33(36(3,4)30-23-15-10-16-24-30)39-34(37(5,6)31-25-17-11-18-26-31)38(7,8)32-27-19-12-20-28-32/h9-28,33-34H,1-8H3.
What are the key properties of [3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene?
[3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene has a molecular weight of 518.79 g/mol, XLogP of 9.65, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dimethyl-2,4-diphenylpentan-3-yl)oxy-2,4-dimethyl-4-phenylpentan-2-yl]benzene is sourced from PubChem (CID 66849470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).