1,8-dimethylnaphthalene;ethane

C16H24 — CID 91447117

IUPAC1,8-dimethylnaphthalene;ethane
SMILESCC.CC.Cc1cccc2cccc(C)c12
InChIInChI=1S/C12H12.2C2H6/c1-9-5-3-7-11-8-4-6-10(2)12(9)11;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyOUYRIFFLZNTCCF-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.51
Rot. Bonds

About 1,8-dimethylnaphthalene;ethane

1,8-dimethylnaphthalene;ethane (PubChem CID 91447117) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1,8-dimethylnaphthalene;ethane.

Molecular Properties

Compound Name1,8-dimethylnaphthalene;ethane
PubChem CID91447117
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1,8-dimethylnaphthalene;ethane
SMILESCC.CC.Cc1cccc2cccc(C)c12
InChIInChI=1S/C12H12.2C2H6/c1-9-5-3-7-11-8-4-6-10(2)12(9)11;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyOUYRIFFLZNTCCF-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5-dimethylphenanthrene;ethane
CID 143983787
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)
CID 159825938
1-bromo-8-methylnaphthalene
CID 4250949
ethane;8-methyl-2H-isoquinolin-1-one
CID 142940495
ethane;4-ethenyl-5-methylphenanthrene
CID 143984038
8-(8-methylnaphthalen-1-yl)naphthalen-1-ol
CID 157321941
(8-methylnaphthalen-1-yl)methanamine
CID 58219649
1,2-difluoro-8-methylnaphthalene
CID 138605111
1-ethynyl-8-methylnaphthalene
CID 71370768
ethane;1-methyl-8-(trifluoromethoxy)naphthalene
CID 156747835
2,8-dimethylisoquinolin-1-one;ethane
CID 142953957

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethylnaphthalene;ethane?
The IUPAC name of 1,8-dimethylnaphthalene;ethane (CID 91447117) is 1,8-dimethylnaphthalene;ethane.
What is the SMILES notation for 1,8-dimethylnaphthalene;ethane?
The canonical SMILES for 1,8-dimethylnaphthalene;ethane is CC.CC.Cc1cccc2cccc(C)c12.
What is the InChIKey of 1,8-dimethylnaphthalene;ethane?
The InChIKey is OUYRIFFLZNTCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.2C2H6/c1-9-5-3-7-11-8-4-6-10(2)12(9)11;2*1-2/h3-8H,1-2H3;2*1-2H3.
What are the key properties of 1,8-dimethylnaphthalene;ethane?
1,8-dimethylnaphthalene;ethane has a molecular weight of 216.37 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethylnaphthalene;ethane is sourced from PubChem (CID 91447117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).