1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene

C24H30 — CID 157212509

IUPAC1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1.Cc1cc(C)c2ccccc2c1
InChIInChI=1S/C12H12.C12H18/c1-9-7-10(2)12-6-4-3-5-11(12)8-9;1-9(2)11-6-5-7-12(8-11)10(3)4/h3-8H,1-2H3;5-10H,1-4H3
InChIKeyASAUKPFGPMYGSU-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.39
Rot. Bonds2

About 1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene

1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene (PubChem CID 157212509) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene
PubChem CID157212509
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1.Cc1cc(C)c2ccccc2c1
InChIInChI=1S/C12H12.C12H18/c1-9-7-10(2)12-6-4-3-5-11(12)8-9;1-9(2)11-6-5-7-12(8-11)10(3)4/h3-8H,1-2H3;5-10H,1-4H3
InChIKeyASAUKPFGPMYGSU-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethylnaphthalene;ethane
CID 145447624
1-methyl-6-propan-2-ylnaphthalene
CID 58126565
10-methyl-2-propan-2-ylphenanthrene
CID 613068
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 158627561
3-(difluoromethyl)-1-methylnaphthalene
CID 118018854
1,6-dimethyl-3-propan-2-ylnaphthalene
CID 54157023
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene)
CID 166528356

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene?
The IUPAC name of 1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene (CID 157212509) is 1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene?
The canonical SMILES for 1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene is CC(C)c1cccc(C(C)C)c1.Cc1cc(C)c2ccccc2c1.
What is the InChIKey of 1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene?
The InChIKey is ASAUKPFGPMYGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C12H18/c1-9-7-10(2)12-6-4-3-5-11(12)8-9;1-9(2)11-6-5-7-12(8-11)10(3)4/h3-8H,1-2H3;5-10H,1-4H3.
What are the key properties of 1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene?
1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene has a molecular weight of 318.50 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 157212509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).