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

C14H20 — CID 91804651

IUPAC1-but-3-enyl-2,3,4,5-tetramethylbenzene
SMILESC=CCCc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C14H20/c1-6-7-8-14-9-10(2)11(3)12(4)13(14)5/h6,9H,1,7-8H2,2-5H3
InChIKeyYQYFRLCDKBMZJU-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.04
Rot. Bonds3

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

1-but-3-enyl-2,3,4,5-tetramethylbenzene (PubChem CID 91804651) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-but-3-enyl-2,3,4,5-tetramethylbenzene.

Molecular Properties

Compound Name1-but-3-enyl-2,3,4,5-tetramethylbenzene
PubChem CID91804651
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-but-3-enyl-2,3,4,5-tetramethylbenzene
SMILESC=CCCc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C14H20/c1-6-7-8-14-9-10(2)11(3)12(4)13(14)5/h6,9H,1,7-8H2,2-5H3
InChIKeyYQYFRLCDKBMZJU-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2,3,4,5-tetramethylbenzene?
The IUPAC name of 1-but-3-enyl-2,3,4,5-tetramethylbenzene (CID 91804651) is 1-but-3-enyl-2,3,4,5-tetramethylbenzene.
What is the SMILES notation for 1-but-3-enyl-2,3,4,5-tetramethylbenzene?
The canonical SMILES for 1-but-3-enyl-2,3,4,5-tetramethylbenzene is C=CCCc1cc(C)c(C)c(C)c1C.
What is the InChIKey of 1-but-3-enyl-2,3,4,5-tetramethylbenzene?
The InChIKey is YQYFRLCDKBMZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-6-7-8-14-9-10(2)11(3)12(4)13(14)5/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 1-but-3-enyl-2,3,4,5-tetramethylbenzene?
1-but-3-enyl-2,3,4,5-tetramethylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2,3,4,5-tetramethylbenzene is sourced from PubChem (CID 91804651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).