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

C14H20 — CID 173045853

IUPAC2-but-1-enyl-1,3,4,5-tetramethylbenzene
SMILESCCC=Cc1c(C)cc(C)c(C)c1C
InChIInChI=1S/C14H20/c1-6-7-8-14-11(3)9-10(2)12(4)13(14)5/h7-9H,6H2,1-5H3
InChIKeyKLKOAFCKTBDDDN-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.34
Rot. Bonds2

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

2-but-1-enyl-1,3,4,5-tetramethylbenzene (PubChem CID 173045853) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-but-1-enyl-1,3,4,5-tetramethylbenzene.

Molecular Properties

Compound Name2-but-1-enyl-1,3,4,5-tetramethylbenzene
PubChem CID173045853
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name2-but-1-enyl-1,3,4,5-tetramethylbenzene
SMILESCCC=Cc1c(C)cc(C)c(C)c1C
InChIInChI=1S/C14H20/c1-6-7-8-14-11(3)9-10(2)12(4)13(14)5/h7-9H,6H2,1-5H3
InChIKeyKLKOAFCKTBDDDN-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
M-Xylene
CID 7929
P-Xylene
CID 7809
1-Methylnaphthalene
CID 7002
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161

Frequently Asked Questions

What is the IUPAC name of 2-but-1-enyl-1,3,4,5-tetramethylbenzene?
The IUPAC name of 2-but-1-enyl-1,3,4,5-tetramethylbenzene (CID 173045853) is 2-but-1-enyl-1,3,4,5-tetramethylbenzene.
What is the SMILES notation for 2-but-1-enyl-1,3,4,5-tetramethylbenzene?
The canonical SMILES for 2-but-1-enyl-1,3,4,5-tetramethylbenzene is CCC=Cc1c(C)cc(C)c(C)c1C.
What is the InChIKey of 2-but-1-enyl-1,3,4,5-tetramethylbenzene?
The InChIKey is KLKOAFCKTBDDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-6-7-8-14-11(3)9-10(2)12(4)13(14)5/h7-9H,6H2,1-5H3.
What are the key properties of 2-but-1-enyl-1,3,4,5-tetramethylbenzene?
2-but-1-enyl-1,3,4,5-tetramethylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyl-1,3,4,5-tetramethylbenzene is sourced from PubChem (CID 173045853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).