1,2-dibromo-1,2,3,7-tetrahydronaphthalene

C10H10Br2 — CID 19030111

IUPAC1,2-dibromo-1,2,3,7-tetrahydronaphthalene
SMILESBrC1CC=C2C=CCC=C2C1Br
InChIInChI=1S/C10H10Br2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1,3-5,9-10H,2,6H2
InChIKeyOCCUXIINRJVBAX-UHFFFAOYSA-N
MW290.00 g/mol
LogP3.73
Rot. Bonds

About 1,2-dibromo-1,2,3,7-tetrahydronaphthalene

1,2-dibromo-1,2,3,7-tetrahydronaphthalene (PubChem CID 19030111) has the molecular formula C10H10Br2 and a molecular weight of 290.00 g/mol. Its IUPAC name is 1,2-dibromo-1,2,3,7-tetrahydronaphthalene.

Molecular Properties

Compound Name1,2-dibromo-1,2,3,7-tetrahydronaphthalene
PubChem CID19030111
Molecular FormulaC10H10Br2
Molecular Weight290.00 g/mol
Exact Mass287.91
IUPAC Name1,2-dibromo-1,2,3,7-tetrahydronaphthalene
SMILESBrC1CC=C2C=CCC=C2C1Br
InChIInChI=1S/C10H10Br2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1,3-5,9-10H,2,6H2
InChIKeyOCCUXIINRJVBAX-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.00
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-1,2,3,7-tetrahydronaphthalene?
The IUPAC name of 1,2-dibromo-1,2,3,7-tetrahydronaphthalene (CID 19030111) is 1,2-dibromo-1,2,3,7-tetrahydronaphthalene.
What is the SMILES notation for 1,2-dibromo-1,2,3,7-tetrahydronaphthalene?
The canonical SMILES for 1,2-dibromo-1,2,3,7-tetrahydronaphthalene is BrC1CC=C2C=CCC=C2C1Br.
What is the InChIKey of 1,2-dibromo-1,2,3,7-tetrahydronaphthalene?
The InChIKey is OCCUXIINRJVBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1,3-5,9-10H,2,6H2.
What are the key properties of 1,2-dibromo-1,2,3,7-tetrahydronaphthalene?
1,2-dibromo-1,2,3,7-tetrahydronaphthalene has a molecular weight of 290.00 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-1,2,3,7-tetrahydronaphthalene is sourced from PubChem (CID 19030111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).