[2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene

C15H20O — CID 88755300

IUPAC[2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene
SMILESC#CC(C)(Cc1ccccc1)OC(C)(C)C
InChIInChI=1S/C15H20O/c1-6-15(5,16-14(2,3)4)12-13-10-8-7-9-11-13/h1,7-11H,12H2,2-5H3
InChIKeyOIBHEIBTADNODY-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.44
Rot. Bonds3

About [2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene

[2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene (PubChem CID 88755300) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is [2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene.

Molecular Properties

Compound Name[2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene
PubChem CID88755300
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name[2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene
SMILESC#CC(C)(Cc1ccccc1)OC(C)(C)C
InChIInChI=1S/C15H20O/c1-6-15(5,16-14(2,3)4)12-13-10-8-7-9-11-13/h1,7-11H,12H2,2-5H3
InChIKeyOIBHEIBTADNODY-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1-phenylbut-3-yn-2-yl) acetate
CID 3289917
2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid
CID 114992406
(3-benzyl-3-methylpenta-1,4-diynyl)benzene
CID 173077955
(2S)-2-methyl-3-phenyl-2-trimethylsilyloxypropanenitrile
CID 12024907
triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane
CID 12851273
(2-methoxy-2-methylpropyl)benzene
CID 3842751
azane;2,2-dimethylbutylbenzene
CID 175285583
2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130
(3S)-4,4-dimethyl-5-phenylpent-1-yn-3-ol
CID 11665538
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2,2-dimethylpropylbenzene;methanol
CID 157125736
diethyl 2-benzyl-2-[(2-methylpropan-2-yl)oxy]propanedioate
CID 135197301

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene?
The IUPAC name of [2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene (CID 88755300) is [2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene.
What is the SMILES notation for [2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene?
The canonical SMILES for [2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene is C#CC(C)(Cc1ccccc1)OC(C)(C)C.
What is the InChIKey of [2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene?
The InChIKey is OIBHEIBTADNODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-6-15(5,16-14(2,3)4)12-13-10-8-7-9-11-13/h1,7-11H,12H2,2-5H3.
What are the key properties of [2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene?
[2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene has a molecular weight of 216.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene is sourced from PubChem (CID 88755300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).