1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene

C16H26O — CID 130224186

IUPAC1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene
SMILESCCC(C)c1cccc(OCC(C)C(C)C)c1
InChIInChI=1S/C16H26O/c1-6-13(4)15-8-7-9-16(10-15)17-11-14(5)12(2)3/h7-10,12-14H,6,11H2,1-5H3
InChIKeyPXGDTPGYRIUCSG-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.87
Rot. Bonds6

About 1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene

1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene (PubChem CID 130224186) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene
PubChem CID130224186
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene
SMILESCCC(C)c1cccc(OCC(C)C(C)C)c1
InChIInChI=1S/C16H26O/c1-6-13(4)15-8-7-9-16(10-15)17-11-14(5)12(2)3/h7-10,12-14H,6,11H2,1-5H3
InChIKeyPXGDTPGYRIUCSG-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 173046953
1-butan-2-yl-3-[1-(2-methylpropoxy)ethoxy]benzene
CID 58711385
1-(3-propan-2-ylphenoxy)butan-2-amine
CID 62039542
1-[3-(2-methylbutoxy)phenyl]ethanol
CID 62104387
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105022384
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 65190715
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 60883271

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene?
The IUPAC name of 1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene (CID 130224186) is 1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene.
What is the SMILES notation for 1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene?
The canonical SMILES for 1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene is CCC(C)c1cccc(OCC(C)C(C)C)c1.
What is the InChIKey of 1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene?
The InChIKey is PXGDTPGYRIUCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-6-13(4)15-8-7-9-16(10-15)17-11-14(5)12(2)3/h7-10,12-14H,6,11H2,1-5H3.
What are the key properties of 1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene?
1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene has a molecular weight of 234.38 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene is sourced from PubChem (CID 130224186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).