1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene

C16H26O2 — CID 71021796

IUPAC1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene
SMILESCCC(C)Oc1ccc(OC(C)(C)CC)cc1C
InChIInChI=1S/C16H26O2/c1-7-13(4)17-15-10-9-14(11-12(15)3)18-16(5,6)8-2/h9-11,13H,7-8H2,1-6H3
InChIKeyOEEHVXLORHQQRY-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.74
Rot. Bonds6

About 1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene

1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene (PubChem CID 71021796) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene.

Molecular Properties

Compound Name1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene
PubChem CID71021796
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene
SMILESCCC(C)Oc1ccc(OC(C)(C)CC)cc1C
InChIInChI=1S/C16H26O2/c1-7-13(4)17-15-10-9-14(11-12(15)3)18-16(5,6)8-2/h9-11,13H,7-8H2,1-6H3
InChIKeyOEEHVXLORHQQRY-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
2-methyl-4-(2-methylbutan-2-yloxy)aniline
CID 43436413
1-butan-2-yloxy-2-methoxy-4-[3-methoxy-4-(2-methylbutan-2-yloxy)phenyl]sulfanylbenzene
CID 134220981
2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide
CID 133252242
1-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 572689
5-(2-methylbutan-2-yloxy)-2-[5-(2-methylbutan-2-yloxy)-2-pyridinyl]pyridine
CID 69024589
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
N'-hydroxy-2-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 81277524
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2,2,2-trifluoroacetamide
CID 100688491
N-(4-butan-2-yloxy-3-methylphenyl)-2,2,2-trichloroacetamide
CID 133245821

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene?
The IUPAC name of 1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene (CID 71021796) is 1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene.
What is the SMILES notation for 1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene?
The canonical SMILES for 1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene is CCC(C)Oc1ccc(OC(C)(C)CC)cc1C.
What is the InChIKey of 1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene?
The InChIKey is OEEHVXLORHQQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-7-13(4)17-15-10-9-14(11-12(15)3)18-16(5,6)8-2/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene?
1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene is sourced from PubChem (CID 71021796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).