2-methylbut-2-ene;2-phenylethynylbenzene

C19H20 — CID 143689109

IUPAC2-methylbut-2-ene;2-phenylethynylbenzene
SMILESC(#Cc1ccccc1)c1ccccc1.CC=C(C)C
InChIInChI=1S/C14H10.C5H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-4-5(2)3/h1-10H;4H,1-3H3
InChIKeyKIYZKQTYJNREJW-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.06
Rot. Bonds

About 2-methylbut-2-ene;2-phenylethynylbenzene

2-methylbut-2-ene;2-phenylethynylbenzene (PubChem CID 143689109) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methylbut-2-ene;2-phenylethynylbenzene.

Molecular Properties

Compound Name2-methylbut-2-ene;2-phenylethynylbenzene
PubChem CID143689109
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name2-methylbut-2-ene;2-phenylethynylbenzene
SMILESC(#Cc1ccccc1)c1ccccc1.CC=C(C)C
InChIInChI=1S/C14H10.C5H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-4-5(2)3/h1-10H;4H,1-3H3
InChIKeyKIYZKQTYJNREJW-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
[4-methyl-3-(2-phenylethynyl)pent-3-en-1-ynyl]benzene
CID 102191460
S-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate
CID 59029892
2-methylprop-1-enyl(2-phenylethynyl)silane
CID 175539957
2-phenylethynylbenzene;sulfur dioxide
CID 175266779
oxophosphanium;2-phenylethynylbenzene
CID 161111354
(E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol
CID 10797282
prop-1-ynylbenzene
CID 142310164
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-ene;2-phenylethynylbenzene?
The IUPAC name of 2-methylbut-2-ene;2-phenylethynylbenzene (CID 143689109) is 2-methylbut-2-ene;2-phenylethynylbenzene.
What is the SMILES notation for 2-methylbut-2-ene;2-phenylethynylbenzene?
The canonical SMILES for 2-methylbut-2-ene;2-phenylethynylbenzene is C(#Cc1ccccc1)c1ccccc1.CC=C(C)C.
What is the InChIKey of 2-methylbut-2-ene;2-phenylethynylbenzene?
The InChIKey is KIYZKQTYJNREJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C5H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-4-5(2)3/h1-10H;4H,1-3H3.
What are the key properties of 2-methylbut-2-ene;2-phenylethynylbenzene?
2-methylbut-2-ene;2-phenylethynylbenzene has a molecular weight of 248.37 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-ene;2-phenylethynylbenzene is sourced from PubChem (CID 143689109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).