1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene

C13H20O — CID 90324406

IUPAC1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene
SMILESCc1ccc(OC(C)C(C)(C)C)cc1
InChIInChI=1S/C13H20O/c1-10-6-8-12(9-7-10)14-11(2)13(3,4)5/h6-9,11H,1-5H3
InChIKeyYRDHANGJSVQUQY-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.81
Rot. Bonds2

About 1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene

1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene (PubChem CID 90324406) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene
PubChem CID90324406
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene
SMILESCc1ccc(OC(C)C(C)(C)C)cc1
InChIInChI=1S/C13H20O/c1-10-6-8-12(9-7-10)14-11(2)13(3,4)5/h6-9,11H,1-5H3
InChIKeyYRDHANGJSVQUQY-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57059060
2-[4-(4-methylphenyl)phenoxy]propanenitrile
CID 22688508
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene
CID 58901102
N,N-dimethyl-2-(4-methylphenoxy)propan-1-amine
CID 89477371
(2S)-2-(4-methylphenoxy)propanoate
CID 6988515
1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene
CID 142044408
1-[(2S)-3,3-dimethylbutan-2-yl]-4-methylbenzene
CID 58051727
iodo-tris(4-methylphenoxy)phosphanium
CID 139153583
3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077780
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid
CID 61261172

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene?
The IUPAC name of 1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene (CID 90324406) is 1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene is Cc1ccc(OC(C)C(C)(C)C)cc1.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene?
The InChIKey is YRDHANGJSVQUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10-6-8-12(9-7-10)14-11(2)13(3,4)5/h6-9,11H,1-5H3.
What are the key properties of 1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene?
1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene is sourced from PubChem (CID 90324406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).