2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene

C18H32O — CID 67682143

IUPAC2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene
SMILESCCC(C)OC(C)CC.CCc1ccc(C)c(C)c1
InChIInChI=1S/C10H14.C8H18O/c1-4-10-6-5-8(2)9(3)7-10;1-5-7(3)9-8(4)6-2/h5-7H,4H2,1-3H3;7-8H,5-6H2,1-4H3
InChIKeyUUIFYNDILQYXCU-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.47
Rot. Bonds5

About 2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene

2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene (PubChem CID 67682143) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene.

Molecular Properties

Compound Name2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene
PubChem CID67682143
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene
SMILESCCC(C)OC(C)CC.CCc1ccc(C)c(C)c1
InChIInChI=1S/C10H14.C8H18O/c1-4-10-6-5-8(2)9(3)7-10;1-5-7(3)9-8(4)6-2/h5-7H,4H2,1-3H3;7-8H,5-6H2,1-4H3
InChIKeyUUIFYNDILQYXCU-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene
CID 57274293
butan-2-one;ethane;4-ethyl-1,2-dimethylbenzene;2-methylbutane
CID 142121166
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene
CID 167518054
(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine
CID 97057923
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
[1-(3,4-dimethylphenyl)-3-methylpentan-2-yl]hydrazine
CID 105215198
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
4-(2-bromobutyl)-1,2-dimethylbenzene
CID 63542735
2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane
CID 143278928
2-butan-2-yloxy-5-ethylaniline
CID 54853195

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene?
The IUPAC name of 2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene (CID 67682143) is 2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene.
What is the SMILES notation for 2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene?
The canonical SMILES for 2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene is CCC(C)OC(C)CC.CCc1ccc(C)c(C)c1.
What is the InChIKey of 2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene?
The InChIKey is UUIFYNDILQYXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C8H18O/c1-4-10-6-5-8(2)9(3)7-10;1-5-7(3)9-8(4)6-2/h5-7H,4H2,1-3H3;7-8H,5-6H2,1-4H3.
What are the key properties of 2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene?
2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene has a molecular weight of 264.45 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene is sourced from PubChem (CID 67682143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).