1,7-dibromooctane

C8H16Br2 — CID 14490019

IUPAC1,7-dibromooctane
SMILESCC(Br)CCCCCCBr
InChIInChI=1S/C8H16Br2/c1-8(10)6-4-2-3-5-7-9/h8H,2-7H2,1H3
InChIKeySLENBUXIYVBBQM-UHFFFAOYSA-N
MW272.02 g/mol
LogP4.12
Rot. Bonds6

About 1,7-dibromooctane

1,7-dibromooctane (PubChem CID 14490019) has the molecular formula C8H16Br2 and a molecular weight of 272.02 g/mol. Its IUPAC name is 1,7-dibromooctane.

Molecular Properties

Compound Name1,7-dibromooctane
PubChem CID14490019
Molecular FormulaC8H16Br2
Molecular Weight272.02 g/mol
Exact Mass269.96
IUPAC Name1,7-dibromooctane
SMILESCC(Br)CCCCCCBr
InChIInChI=1S/C8H16Br2/c1-8(10)6-4-2-3-5-7-9/h8H,2-7H2,1H3
InChIKeySLENBUXIYVBBQM-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-bromo-8-methylnonane
CID 83169222
1-bromo-20-methylhenicosane
CID 10982010
1,3-dibromobutane;1,3-dibromopropane
CID 160634915
1,1,15-tribromopentadecane
CID 118275782
1,1,13-tribromotridecane
CID 118276299
1,8,9,18-tetrabromooctadecane
CID 54213265
1-bromo-6-chloroheptane
CID 66509132
9-bromodecan-1-ol
CID 18177035
8-bromononan-1-ol
CID 18177005

Frequently Asked Questions

What is the IUPAC name of 1,7-dibromooctane?
The IUPAC name of 1,7-dibromooctane (CID 14490019) is 1,7-dibromooctane.
What is the SMILES notation for 1,7-dibromooctane?
The canonical SMILES for 1,7-dibromooctane is CC(Br)CCCCCCBr.
What is the InChIKey of 1,7-dibromooctane?
The InChIKey is SLENBUXIYVBBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2/c1-8(10)6-4-2-3-5-7-9/h8H,2-7H2,1H3.
What are the key properties of 1,7-dibromooctane?
1,7-dibromooctane has a molecular weight of 272.02 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dibromooctane is sourced from PubChem (CID 14490019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).