2,6-dimethylnaphthalene;propane

C18H28 — CID 142191183

IUPAC2,6-dimethylnaphthalene;propane
SMILESCCC.CCC.Cc1ccc2cc(C)ccc2c1
InChIInChI=1S/C12H12.2C3H8/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-3-2/h3-8H,1-2H3;2*3H2,1-2H3
InChIKeyCKAIRHSZBQIAAD-UHFFFAOYSA-N
MW244.42 g/mol
LogP6.29
Rot. Bonds

About 2,6-dimethylnaphthalene;propane

2,6-dimethylnaphthalene;propane (PubChem CID 142191183) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2,6-dimethylnaphthalene;propane.

Molecular Properties

Compound Name2,6-dimethylnaphthalene;propane
PubChem CID142191183
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name2,6-dimethylnaphthalene;propane
SMILESCCC.CCC.Cc1ccc2cc(C)ccc2c1
InChIInChI=1S/C12H12.2C3H8/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-3-2/h3-8H,1-2H3;2*3H2,1-2H3
InChIKeyCKAIRHSZBQIAAD-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 11460950
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CID 90696557
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CID 140780842
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene
CID 157356063
2-butan-2-yl-9-methylpentacene
CID 20764702
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803
benzene;2-methylnaphthalene
CID 159438891
butan-1-ol;2-methylanthracene
CID 157365265
ethane;3-ethyl-2,6-dimethylnaphthalene
CID 143575841
2-butoxy-6-methylnaphthalene
CID 58718847

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylnaphthalene;propane?
The IUPAC name of 2,6-dimethylnaphthalene;propane (CID 142191183) is 2,6-dimethylnaphthalene;propane.
What is the SMILES notation for 2,6-dimethylnaphthalene;propane?
The canonical SMILES for 2,6-dimethylnaphthalene;propane is CCC.CCC.Cc1ccc2cc(C)ccc2c1.
What is the InChIKey of 2,6-dimethylnaphthalene;propane?
The InChIKey is CKAIRHSZBQIAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.2C3H8/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-3-2/h3-8H,1-2H3;2*3H2,1-2H3.
What are the key properties of 2,6-dimethylnaphthalene;propane?
2,6-dimethylnaphthalene;propane has a molecular weight of 244.42 g/mol, XLogP of 6.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylnaphthalene;propane is sourced from PubChem (CID 142191183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).