1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene

C20H28Cl2 — CID 143505485

IUPAC1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.Clc1ccccc1Cl.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C6H4Cl2.2C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;7-5-3-1-2-4-6(5)8;2*1-2/h1-2,5-6H,3-4,7-8H2;1-4H;2*1-2H3
InChIKeyQDAXMNWACWEEJC-UHFFFAOYSA-N
MW339.35 g/mol
LogP7.61
Rot. Bonds

About 1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene

1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene (PubChem CID 143505485) has the molecular formula C20H28Cl2 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene
PubChem CID143505485
Molecular FormulaC20H28Cl2
Molecular Weight339.35 g/mol
Exact Mass338.16
IUPAC Name1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.Clc1ccccc1Cl.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C6H4Cl2.2C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;7-5-3-1-2-4-6(5)8;2*1-2/h1-2,5-6H,3-4,7-8H2;1-4H;2*1-2H3
InChIKeyQDAXMNWACWEEJC-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.35
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene (CID 143505485) is 1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene is CC.CC.Clc1ccccc1Cl.c1ccc2c(c1)CCCC2.
What is the InChIKey of 1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene?
The InChIKey is QDAXMNWACWEEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C6H4Cl2.2C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;7-5-3-1-2-4-6(5)8;2*1-2/h1-2,5-6H,3-4,7-8H2;1-4H;2*1-2H3.
What are the key properties of 1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene?
1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene has a molecular weight of 339.35 g/mol, XLogP of 7.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;ethane;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143505485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).