1,5-dimethylnaphthalene

C24H24 — CID 162159355

IUPAC1,5-dimethylnaphthalene
SMILESCc1cccc2c(C)cccc12.Cc1cccc2c(C)cccc12
InChIInChI=1S/2C12H12/c2*1-9-5-3-8-12-10(2)6-4-7-11(9)12/h2*3-8H,1-2H3
InChIKeyZMGPMAAYOFDONR-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.91
Rot. Bonds

About 1,5-dimethylnaphthalene

1,5-dimethylnaphthalene (PubChem CID 162159355) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1,5-dimethylnaphthalene.

Molecular Properties

Compound Name1,5-dimethylnaphthalene
PubChem CID162159355
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name1,5-dimethylnaphthalene
SMILESCc1cccc2c(C)cccc12.Cc1cccc2c(C)cccc12
InChIInChI=1S/2C12H12/c2*1-9-5-3-8-12-10(2)6-4-7-11(9)12/h2*3-8H,1-2H3
InChIKeyZMGPMAAYOFDONR-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 91446644
CID 91446644
ethane;1,2,5-trimethylnaphthalene
CID 142394206
7-methylchrysene-1-thiol
CID 143948531
methane;1-methylphenanthrene
CID 175001905
1,2-difluoro-5-methylnaphthalene
CID 54417712
1-(bromomethyl)-5-methylnaphthalene
CID 15657418
1,5,12-trimethyltriphenylene
CID 102264978
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660
acetylene;ethane;1-methylnaphthalene
CID 167495690
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
CID 160811650
CID 11032416
CID 11032416

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylnaphthalene?
The IUPAC name of 1,5-dimethylnaphthalene (CID 162159355) is 1,5-dimethylnaphthalene.
What is the SMILES notation for 1,5-dimethylnaphthalene?
The canonical SMILES for 1,5-dimethylnaphthalene is Cc1cccc2c(C)cccc12.Cc1cccc2c(C)cccc12.
What is the InChIKey of 1,5-dimethylnaphthalene?
The InChIKey is ZMGPMAAYOFDONR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12/c2*1-9-5-3-8-12-10(2)6-4-7-11(9)12/h2*3-8H,1-2H3.
What are the key properties of 1,5-dimethylnaphthalene?
1,5-dimethylnaphthalene has a molecular weight of 312.46 g/mol, XLogP of 6.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylnaphthalene is sourced from PubChem (CID 162159355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).