2,6-dibromo-1,5-dihexoxynaphthalene

C22H30Br2O2 — CID 18332103

IUPAC2,6-dibromo-1,5-dihexoxynaphthalene
SMILESCCCCCCOc1c(Br)ccc2c(OCCCCCC)c(Br)ccc12
InChIInChI=1S/C22H30Br2O2/c1-3-5-7-9-15-25-21-17-11-14-20(24)22(18(17)12-13-19(21)23)26-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3
InChIKeyPBNXBXCHWZLFLB-UHFFFAOYSA-N
MW486.29 g/mol
LogP8.28
Rot. Bonds12

About 2,6-dibromo-1,5-dihexoxynaphthalene

2,6-dibromo-1,5-dihexoxynaphthalene (PubChem CID 18332103) has the molecular formula C22H30Br2O2 and a molecular weight of 486.29 g/mol. Its IUPAC name is 2,6-dibromo-1,5-dihexoxynaphthalene.

Molecular Properties

Compound Name2,6-dibromo-1,5-dihexoxynaphthalene
PubChem CID18332103
Molecular FormulaC22H30Br2O2
Molecular Weight486.29 g/mol
Exact Mass484.06
IUPAC Name2,6-dibromo-1,5-dihexoxynaphthalene
SMILESCCCCCCOc1c(Br)ccc2c(OCCCCCC)c(Br)ccc12
InChIInChI=1S/C22H30Br2O2/c1-3-5-7-9-15-25-21-17-11-14-20(24)22(18(17)12-13-19(21)23)26-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3
InChIKeyPBNXBXCHWZLFLB-UHFFFAOYSA-N
XLogP8.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.29
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-1,5-dihexoxynaphthalene?
The IUPAC name of 2,6-dibromo-1,5-dihexoxynaphthalene (CID 18332103) is 2,6-dibromo-1,5-dihexoxynaphthalene.
What is the SMILES notation for 2,6-dibromo-1,5-dihexoxynaphthalene?
The canonical SMILES for 2,6-dibromo-1,5-dihexoxynaphthalene is CCCCCCOc1c(Br)ccc2c(OCCCCCC)c(Br)ccc12.
What is the InChIKey of 2,6-dibromo-1,5-dihexoxynaphthalene?
The InChIKey is PBNXBXCHWZLFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Br2O2/c1-3-5-7-9-15-25-21-17-11-14-20(24)22(18(17)12-13-19(21)23)26-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3.
What are the key properties of 2,6-dibromo-1,5-dihexoxynaphthalene?
2,6-dibromo-1,5-dihexoxynaphthalene has a molecular weight of 486.29 g/mol, XLogP of 8.28, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-1,5-dihexoxynaphthalene is sourced from PubChem (CID 18332103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).