3-ethyl-1,2,6-trimethylnaphthalene

C15H18 — CID 91078204

IUPAC3-ethyl-1,2,6-trimethylnaphthalene
SMILESCCc1cc2cc(C)ccc2c(C)c1C
InChIInChI=1S/C15H18/c1-5-13-9-14-8-10(2)6-7-15(14)12(4)11(13)3/h6-9H,5H2,1-4H3
InChIKeyGFMPQZRVQYMKDO-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.33
Rot. Bonds1

About 3-ethyl-1,2,6-trimethylnaphthalene

3-ethyl-1,2,6-trimethylnaphthalene (PubChem CID 91078204) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-ethyl-1,2,6-trimethylnaphthalene.

Molecular Properties

Compound Name3-ethyl-1,2,6-trimethylnaphthalene
PubChem CID91078204
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name3-ethyl-1,2,6-trimethylnaphthalene
SMILESCCc1cc2cc(C)ccc2c(C)c1C
InChIInChI=1S/C15H18/c1-5-13-9-14-8-10(2)6-7-15(14)12(4)11(13)3/h6-9H,5H2,1-4H3
InChIKeyGFMPQZRVQYMKDO-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol
CID 142805248
ethane;1-ethyl-6-methylnaphthalene
CID 91003856
ethane;3-ethyl-2,6-dimethylnaphthalene
CID 143575841
2,10-dimethylanthracene;formaldehyde
CID 169199000
1,2-diethyl-4-methylbenzene;methane
CID 174446118
2-ethyl-6-methyl-1-[(Z)-prop-1-enyl]naphthalene
CID 144639812
butane;ethane;1-ethyl-4-methylbenzene;methanesulfonic acid;3,4,7-trimethylnaphthalene-2-sulfonic acid
CID 144526183
2-ethyl-7-methylphenanthrene
CID 59758331
1-ethyl-7-methylnaphthalene
CID 12778771
2,6-dimethylnaphthalene;propane
CID 142191183
4,7-dimethyl-3-propylnaphthalene-2-sulfonic acid
CID 144520629
4-deuterio-1-(3,5-diethyl-2-methylphenyl)-2,3,6-trimethylisoquinolin-2-ium
CID 161447353

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,6-trimethylnaphthalene?
The IUPAC name of 3-ethyl-1,2,6-trimethylnaphthalene (CID 91078204) is 3-ethyl-1,2,6-trimethylnaphthalene.
What is the SMILES notation for 3-ethyl-1,2,6-trimethylnaphthalene?
The canonical SMILES for 3-ethyl-1,2,6-trimethylnaphthalene is CCc1cc2cc(C)ccc2c(C)c1C.
What is the InChIKey of 3-ethyl-1,2,6-trimethylnaphthalene?
The InChIKey is GFMPQZRVQYMKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-5-13-9-14-8-10(2)6-7-15(14)12(4)11(13)3/h6-9H,5H2,1-4H3.
What are the key properties of 3-ethyl-1,2,6-trimethylnaphthalene?
3-ethyl-1,2,6-trimethylnaphthalene has a molecular weight of 198.31 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,6-trimethylnaphthalene is sourced from PubChem (CID 91078204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).