[2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene

C26H38O — CID 169096985

IUPAC[2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene
SMILESCC(C)CC(C)(Cc1ccccc1)OC(C)(Cc1ccccc1)CC(C)C
InChIInChI=1S/C26H38O/c1-21(2)17-25(5,19-23-13-9-7-10-14-23)27-26(6,18-22(3)4)20-24-15-11-8-12-16-24/h7-16,21-22H,17-20H2,1-6H3
InChIKeyBQIRCHXRHUKCNG-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.10
Rot. Bonds10

About [2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene

[2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene (PubChem CID 169096985) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is [2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene.

Molecular Properties

Compound Name[2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene
PubChem CID169096985
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name[2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene
SMILESCC(C)CC(C)(Cc1ccccc1)OC(C)(Cc1ccccc1)CC(C)C
InChIInChI=1S/C26H38O/c1-21(2)17-25(5,19-23-13-9-7-10-14-23)27-26(6,18-22(3)4)20-24-15-11-8-12-16-24/h7-16,21-22H,17-20H2,1-6H3
InChIKeyBQIRCHXRHUKCNG-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
(2R)-2-benzyl-2,4-dimethylpentanoyl chloride
CID 146469685
3-benzyl-5-methylhexan-3-ol
CID 79008448
2,2-dimethylpropylbenzene;methanol
CID 157125736
[2-methyl-2-(3-methylbutoxy)propyl]benzene
CID 149129100
ethane;(2-methyl-2-propan-2-yloxypropyl)benzene
CID 156811529
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
(2R)-2-amino-2-benzyl-4-methylpentanamide
CID 66678418
[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl] phenylmethanesulfonate
CID 141260248
(2-methoxy-2-methylpropyl)benzene
CID 3842751
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene?
The IUPAC name of [2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene (CID 169096985) is [2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene.
What is the SMILES notation for [2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene?
The canonical SMILES for [2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene is CC(C)CC(C)(Cc1ccccc1)OC(C)(Cc1ccccc1)CC(C)C.
What is the InChIKey of [2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene?
The InChIKey is BQIRCHXRHUKCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-21(2)17-25(5,19-23-13-9-7-10-14-23)27-26(6,18-22(3)4)20-24-15-11-8-12-16-24/h7-16,21-22H,17-20H2,1-6H3.
What are the key properties of [2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene?
[2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene has a molecular weight of 366.59 g/mol, XLogP of 7.10, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene is sourced from PubChem (CID 169096985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).