1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene

C16H26O — CID 159159765

IUPAC1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
SMILESCCC(C)c1ccc(OC(C)C(C)(C)C)cc1
InChIInChI=1S/C16H26O/c1-7-12(2)14-8-10-15(11-9-14)17-13(3)16(4,5)6/h8-13H,7H2,1-6H3
InChIKeyWWLIMLKUPRNOHP-UHFFFAOYSA-N
MW234.38 g/mol
LogP5.01
Rot. Bonds4

About 1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene

1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene (PubChem CID 159159765) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
PubChem CID159159765
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
SMILESCCC(C)c1ccc(OC(C)C(C)(C)C)cc1
InChIInChI=1S/C16H26O/c1-7-12(2)14-8-10-15(11-9-14)17-13(3)16(4,5)6/h8-13H,7H2,1-6H3
InChIKeyWWLIMLKUPRNOHP-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.38
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane
CID 162050346
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene
CID 90324406
1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene
CID 58900963
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonic acid
CID 118423882
1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene
CID 21053289
1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene
CID 129038236
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393
4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 107669189
3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol
CID 107664252

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene?
The IUPAC name of 1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene (CID 159159765) is 1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene?
The canonical SMILES for 1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene is CCC(C)c1ccc(OC(C)C(C)(C)C)cc1.
What is the InChIKey of 1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene?
The InChIKey is WWLIMLKUPRNOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-7-12(2)14-8-10-15(11-9-14)17-13(3)16(4,5)6/h8-13H,7H2,1-6H3.
What are the key properties of 1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene?
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene has a molecular weight of 234.38 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene is sourced from PubChem (CID 159159765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).