1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene

C15H20 — CID 23055665

IUPAC1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene
SMILESC#CC(C)(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H20/c1-7-15(5,6)13-10-8-12(9-11-13)14(2,3)4/h1,8-11H,2-6H3
InChIKeyYJIAZLRRWAKGPX-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.89
Rot. Bonds1

About 1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene

1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene (PubChem CID 23055665) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene
PubChem CID23055665
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene
SMILESC#CC(C)(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H20/c1-7-15(5,6)13-10-8-12(9-11-13)14(2,3)4/h1,8-11H,2-6H3
InChIKeyYJIAZLRRWAKGPX-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-ethynylbenzene;ethane
CID 143373231
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine
CID 90210200
1-buta-1,3-diynyl-4-tert-butylbenzene
CID 10773791
N-[1-(4-tert-butylphenyl)ethyl]-2-methylbut-3-yn-2-amine
CID 63997502
1-tert-butyl-4-methylbenzene
CID 163486601
CID 101349541
CID 101349541
1-[1,1-bis(3,5-ditert-butylphenyl)prop-2-ynyl]-3,5-ditert-butylbenzene
CID 46849152
(4-tert-butylphenyl)alumane
CID 174308515
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
4-(4-tert-butylphenyl)-2-methylbut-3-yn-2-ol
CID 112554226
(2R)-2-(4-methylphenyl)but-3-yn-2-ol
CID 51720513

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene?
The IUPAC name of 1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene (CID 23055665) is 1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene?
The canonical SMILES for 1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene is C#CC(C)(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene?
The InChIKey is YJIAZLRRWAKGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-7-15(5,6)13-10-8-12(9-11-13)14(2,3)4/h1,8-11H,2-6H3.
What are the key properties of 1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene?
1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene has a molecular weight of 200.32 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methylbut-3-yn-2-yl)benzene is sourced from PubChem (CID 23055665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).