1,2-dimethylnaphthalene;1-ethylnaphthalene

C24H24 — CID 158986916

IUPAC1,2-dimethylnaphthalene;1-ethylnaphthalene
SMILESCCc1cccc2ccccc12.Cc1ccc2ccccc2c1C
InChIInChI=1S/2C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-8H,1-2H3;3-9H,2H2,1H3
InChIKeyJPRIYTLEWSCDGX-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.86
Rot. Bonds1

About 1,2-dimethylnaphthalene;1-ethylnaphthalene

1,2-dimethylnaphthalene;1-ethylnaphthalene (PubChem CID 158986916) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1,2-dimethylnaphthalene;1-ethylnaphthalene.

Molecular Properties

Compound Name1,2-dimethylnaphthalene;1-ethylnaphthalene
PubChem CID158986916
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name1,2-dimethylnaphthalene;1-ethylnaphthalene
SMILESCCc1cccc2ccccc12.Cc1ccc2ccccc2c1C
InChIInChI=1S/2C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-8H,1-2H3;3-9H,2H2,1H3
InChIKeyJPRIYTLEWSCDGX-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethylnaphthalene;ethane;propane
CID 90958253
azane;1-ethylnaphthalene
CID 19048185
1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
1-ethylnaphthalene;pyrene
CID 174849884
sodium;1-ethylnaphthalene;hydride
CID 174300793
CID 174952832
CID 174952832
1-ethylnaphthalene;methylcyclopropane
CID 142069670
1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene
CID 161084125
sodium;1-ethylnaphthalene;phenoxide
CID 159168482
1-ethyl-7-methylnaphthalene
CID 12778771
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylnaphthalene;1-ethylnaphthalene?
The IUPAC name of 1,2-dimethylnaphthalene;1-ethylnaphthalene (CID 158986916) is 1,2-dimethylnaphthalene;1-ethylnaphthalene.
What is the SMILES notation for 1,2-dimethylnaphthalene;1-ethylnaphthalene?
The canonical SMILES for 1,2-dimethylnaphthalene;1-ethylnaphthalene is CCc1cccc2ccccc12.Cc1ccc2ccccc2c1C.
What is the InChIKey of 1,2-dimethylnaphthalene;1-ethylnaphthalene?
The InChIKey is JPRIYTLEWSCDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-8H,1-2H3;3-9H,2H2,1H3.
What are the key properties of 1,2-dimethylnaphthalene;1-ethylnaphthalene?
1,2-dimethylnaphthalene;1-ethylnaphthalene has a molecular weight of 312.46 g/mol, XLogP of 6.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylnaphthalene;1-ethylnaphthalene is sourced from PubChem (CID 158986916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).