1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene

C15H22O — CID 123728884

IUPAC1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene
SMILESC=C(C)C(C)(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C15H22O/c1-11(2)13-7-9-14(10-8-13)16-15(5,6)12(3)4/h7-11H,3H2,1-2,4-6H3
InChIKeyAUMAFIXQYPHUIW-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.54
Rot. Bonds4

About 1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene

1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene (PubChem CID 123728884) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene
PubChem CID123728884
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene
SMILESC=C(C)C(C)(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C15H22O/c1-11(2)13-7-9-14(10-8-13)16-15(5,6)12(3)4/h7-11H,3H2,1-2,4-6H3
InChIKeyAUMAFIXQYPHUIW-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol
CID 175005292
2-(4-propan-2-ylphenoxy)propane-2-thiol
CID 137410677
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
(2S,3R)-3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)butanoic acid
CID 10641354
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 10688529
(3,5,6-trimethylpyrazin-2-yl)methyl 2-methyl-2-(4-propan-2-ylphenoxy)propanoate
CID 45255762
tert-butyl 2-methyl-2-(4-propan-2-ylphenoxy)butanoate
CID 170191000
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene
CID 166842431
1-tert-butylperoxy-4-propan-2-ylbenzene
CID 20523322
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene?
The IUPAC name of 1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene (CID 123728884) is 1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene is C=C(C)C(C)(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene?
The InChIKey is AUMAFIXQYPHUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)13-7-9-14(10-8-13)16-15(5,6)12(3)4/h7-11H,3H2,1-2,4-6H3.
What are the key properties of 1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene?
1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene is sourced from PubChem (CID 123728884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).