1,2-dimethylnaphthalene;ethane;propane

C19H32 — CID 90958253

IUPAC1,2-dimethylnaphthalene;ethane;propane
SMILESCC.CC.CCC.Cc1ccc2ccccc2c1C
InChIInChI=1S/C12H12.C3H8.2C2H6/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;1-3-2;2*1-2/h3-8H,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyRFTIMIVSWPDZCZ-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.93
Rot. Bonds

About 1,2-dimethylnaphthalene;ethane;propane

1,2-dimethylnaphthalene;ethane;propane (PubChem CID 90958253) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1,2-dimethylnaphthalene;ethane;propane.

Molecular Properties

Compound Name1,2-dimethylnaphthalene;ethane;propane
PubChem CID90958253
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1,2-dimethylnaphthalene;ethane;propane
SMILESCC.CC.CCC.Cc1ccc2ccccc2c1C
InChIInChI=1S/C12H12.C3H8.2C2H6/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;1-3-2;2*1-2/h3-8H,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyRFTIMIVSWPDZCZ-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene
CID 161084125
1,2-dimethylnaphthalene;1-ethylnaphthalene
CID 158986916
1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene
CID 158113046
CID 174952832
CID 174952832
ethane;9-methylanthracene;naphthalene
CID 161226057
3,4-dimethylbenzo[a]anthracene
CID 154377924
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
ethane;naphthalene;propane
CID 158972865

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylnaphthalene;ethane;propane?
The IUPAC name of 1,2-dimethylnaphthalene;ethane;propane (CID 90958253) is 1,2-dimethylnaphthalene;ethane;propane.
What is the SMILES notation for 1,2-dimethylnaphthalene;ethane;propane?
The canonical SMILES for 1,2-dimethylnaphthalene;ethane;propane is CC.CC.CCC.Cc1ccc2ccccc2c1C.
What is the InChIKey of 1,2-dimethylnaphthalene;ethane;propane?
The InChIKey is RFTIMIVSWPDZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C3H8.2C2H6/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;1-3-2;2*1-2/h3-8H,1-2H3;3H2,1-2H3;2*1-2H3.
What are the key properties of 1,2-dimethylnaphthalene;ethane;propane?
1,2-dimethylnaphthalene;ethane;propane has a molecular weight of 260.46 g/mol, XLogP of 6.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylnaphthalene;ethane;propane is sourced from PubChem (CID 90958253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).