3-but-2-enyl-1,2,4,5-tetramethylbenzene

C14H20 — CID 173045793

IUPAC3-but-2-enyl-1,2,4,5-tetramethylbenzene
SMILESCC=CCc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C14H20/c1-6-7-8-14-12(4)10(2)9-11(3)13(14)5/h6-7,9H,8H2,1-5H3
InChIKeyDAMOUVSGUWCPPN-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.04
Rot. Bonds2

About 3-but-2-enyl-1,2,4,5-tetramethylbenzene

3-but-2-enyl-1,2,4,5-tetramethylbenzene (PubChem CID 173045793) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-but-2-enyl-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-but-2-enyl-1,2,4,5-tetramethylbenzene
PubChem CID173045793
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name3-but-2-enyl-1,2,4,5-tetramethylbenzene
SMILESCC=CCc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C14H20/c1-6-7-8-14-12(4)10(2)9-11(3)13(14)5/h6-7,9H,8H2,1-5H3
InChIKeyDAMOUVSGUWCPPN-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-but-2-enyl]-3,5-dimethylaniline
CID 121008127
[(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate
CID 54607800
3-[(E)-but-2-enyl]-4,6-dihydroxy-2-methylbenzaldehyde
CID 13310295
1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene
CID 23533123
4-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 65300958
3-(2-chloroethyl)-1,2,4,5-tetramethylbenzene
CID 53403936
ethane;1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene
CID 91299568
6-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 65300906
2-(2,3,5,6-tetramethylphenyl)ethanethioamide
CID 83969576
3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene
CID 590260
2-[(E)-but-2-enyl]-4,6-dimethylphenol
CID 131234251
acetylene;butane;3-ethyl-1,2,4,5-tetramethylbenzene
CID 167475137

Frequently Asked Questions

What is the IUPAC name of 3-but-2-enyl-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-but-2-enyl-1,2,4,5-tetramethylbenzene (CID 173045793) is 3-but-2-enyl-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-but-2-enyl-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-but-2-enyl-1,2,4,5-tetramethylbenzene is CC=CCc1c(C)c(C)cc(C)c1C.
What is the InChIKey of 3-but-2-enyl-1,2,4,5-tetramethylbenzene?
The InChIKey is DAMOUVSGUWCPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-6-7-8-14-12(4)10(2)9-11(3)13(14)5/h6-7,9H,8H2,1-5H3.
What are the key properties of 3-but-2-enyl-1,2,4,5-tetramethylbenzene?
3-but-2-enyl-1,2,4,5-tetramethylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enyl-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 173045793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).