1,3-dimethylnaphthalene;ethane

C18H30 — CID 145447624

IUPAC1,3-dimethylnaphthalene;ethane
SMILESCC.CC.CC.Cc1cc(C)c2ccccc2c1
InChIInChI=1S/C12H12.3C2H6/c1-9-7-10(2)12-6-4-3-5-11(12)8-9;3*1-2/h3-8H,1-2H3;3*1-2H3
InChIKeyRNNDMJUDXQHAOW-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.54
Rot. Bonds

About 1,3-dimethylnaphthalene;ethane

1,3-dimethylnaphthalene;ethane (PubChem CID 145447624) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,3-dimethylnaphthalene;ethane.

Molecular Properties

Compound Name1,3-dimethylnaphthalene;ethane
PubChem CID145447624
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1,3-dimethylnaphthalene;ethane
SMILESCC.CC.CC.Cc1cc(C)c2ccccc2c1
InChIInChI=1S/C12H12.3C2H6/c1-9-7-10(2)12-6-4-3-5-11(12)8-9;3*1-2/h3-8H,1-2H3;3*1-2H3
InChIKeyRNNDMJUDXQHAOW-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylnaphthalene;ethane?
The IUPAC name of 1,3-dimethylnaphthalene;ethane (CID 145447624) is 1,3-dimethylnaphthalene;ethane.
What is the SMILES notation for 1,3-dimethylnaphthalene;ethane?
The canonical SMILES for 1,3-dimethylnaphthalene;ethane is CC.CC.CC.Cc1cc(C)c2ccccc2c1.
What is the InChIKey of 1,3-dimethylnaphthalene;ethane?
The InChIKey is RNNDMJUDXQHAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.3C2H6/c1-9-7-10(2)12-6-4-3-5-11(12)8-9;3*1-2/h3-8H,1-2H3;3*1-2H3.
What are the key properties of 1,3-dimethylnaphthalene;ethane?
1,3-dimethylnaphthalene;ethane has a molecular weight of 246.44 g/mol, XLogP of 6.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylnaphthalene;ethane is sourced from PubChem (CID 145447624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).