[2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene

C22H30O — CID 70593938

IUPAC[2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene
SMILESCC(C)(CCOCCC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O/c1-21(2,19-11-7-5-8-12-19)15-17-23-18-16-22(3,4)20-13-9-6-10-14-20/h5-14H,15-18H2,1-4H3
InChIKeyCZNHBVMKAKUUHY-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.74
Rot. Bonds8

About [2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene

[2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene (PubChem CID 70593938) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is [2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene.

Molecular Properties

Compound Name[2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene
PubChem CID70593938
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name[2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene
SMILESCC(C)(CCOCCC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O/c1-21(2,19-11-7-5-8-12-19)15-17-23-18-16-22(3,4)20-13-9-6-10-14-20/h5-14H,15-18H2,1-4H3
InChIKeyCZNHBVMKAKUUHY-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-heptoxy-2-methylpentan-2-yl)benzene
CID 143912410
N,3-dimethyl-3-phenylbutan-1-amine
CID 62966813
(4-isocyano-2-methylbutan-2-yl)benzene
CID 20647251
4-methyl-4-phenylpentaneperoxoic acid
CID 54384319
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
1-tert-butyl-4-methyl-2-(3-methyl-3-phenylbutoxy)benzene
CID 126571041
[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
CID 174996327
(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008
[2-methyl-7-(6-methyl-6-phenylheptyl)sulfanylheptan-2-yl]benzene
CID 143079939
4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695556
[1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2-methylpropan-2-yl]benzene
CID 158308844
Trineophyltin hydride
CID 6327208

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene?
The IUPAC name of [2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene (CID 70593938) is [2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene.
What is the SMILES notation for [2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene?
The canonical SMILES for [2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene is CC(C)(CCOCCC(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene?
The InChIKey is CZNHBVMKAKUUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-21(2,19-11-7-5-8-12-19)15-17-23-18-16-22(3,4)20-13-9-6-10-14-20/h5-14H,15-18H2,1-4H3.
What are the key properties of [2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene?
[2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene has a molecular weight of 310.48 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene is sourced from PubChem (CID 70593938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).