2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene

C17H18 — CID 143715386

IUPAC2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene
SMILESC=Cc1c(C=C)c(C)c2c(C)cccc2c1C
InChIInChI=1S/C17H18/c1-6-14-12(4)16-10-8-9-11(3)17(16)13(5)15(14)7-2/h6-10H,1-2H2,3-5H3
InChIKeyPJGMDAVAJJVWBV-UHFFFAOYSA-N
MW222.33 g/mol
LogP5.05
Rot. Bonds2

About 2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene

2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene (PubChem CID 143715386) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene
PubChem CID143715386
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene
SMILESC=Cc1c(C=C)c(C)c2c(C)cccc2c1C
InChIInChI=1S/C17H18/c1-6-14-12(4)16-10-8-9-11(3)17(16)13(5)15(14)7-2/h6-10H,1-2H2,3-5H3
InChIKeyPJGMDAVAJJVWBV-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.33
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethenyl-2,3,5-trimethylnaphthalen-1-amine
CID 54134922
9-ethenyl-10-methylphenanthrene
CID 123648763
1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene
CID 143743667
acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
3-ethenyl-2,4-dimethyl-1-benzothiophene
CID 145447214
1,5,12-trimethyltriphenylene
CID 102264978
3,4,5-trimethylnaphthalen-1-ol
CID 54424732
1,5-dimethylnaphthalene
CID 162159355
N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 143619876
6,7-bis(ethenyl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 166096190
ethane;2-ethenyl-1,3,4-trimethylbenzene
CID 145148540

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene?
The IUPAC name of 2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene (CID 143715386) is 2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene.
What is the SMILES notation for 2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene?
The canonical SMILES for 2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene is C=Cc1c(C=C)c(C)c2c(C)cccc2c1C.
What is the InChIKey of 2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene?
The InChIKey is PJGMDAVAJJVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-6-14-12(4)16-10-8-9-11(3)17(16)13(5)15(14)7-2/h6-10H,1-2H2,3-5H3.
What are the key properties of 2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene?
2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene has a molecular weight of 222.33 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene is sourced from PubChem (CID 143715386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).