1,2-dibromo-1-methylcyclooctane

C9H16Br2 — CID 18443823

IUPAC1,2-dibromo-1-methylcyclooctane
SMILESCC1(Br)CCCCCCC1Br
InChIInChI=1S/C9H16Br2/c1-9(11)7-5-3-2-4-6-8(9)10/h8H,2-7H2,1H3
InChIKeySQJOABKXPALXET-UHFFFAOYSA-N
MW284.03 g/mol
LogP4.26
Rot. Bonds

About 1,2-dibromo-1-methylcyclooctane

1,2-dibromo-1-methylcyclooctane (PubChem CID 18443823) has the molecular formula C9H16Br2 and a molecular weight of 284.03 g/mol. Its IUPAC name is 1,2-dibromo-1-methylcyclooctane.

Molecular Properties

Compound Name1,2-dibromo-1-methylcyclooctane
PubChem CID18443823
Molecular FormulaC9H16Br2
Molecular Weight284.03 g/mol
Exact Mass281.96
IUPAC Name1,2-dibromo-1-methylcyclooctane
SMILESCC1(Br)CCCCCCC1Br
InChIInChI=1S/C9H16Br2/c1-9(11)7-5-3-2-4-6-8(9)10/h8H,2-7H2,1H3
InChIKeySQJOABKXPALXET-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 54.26
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-methylcyclooctane?
The IUPAC name of 1,2-dibromo-1-methylcyclooctane (CID 18443823) is 1,2-dibromo-1-methylcyclooctane.
What is the SMILES notation for 1,2-dibromo-1-methylcyclooctane?
The canonical SMILES for 1,2-dibromo-1-methylcyclooctane is CC1(Br)CCCCCCC1Br.
What is the InChIKey of 1,2-dibromo-1-methylcyclooctane?
The InChIKey is SQJOABKXPALXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Br2/c1-9(11)7-5-3-2-4-6-8(9)10/h8H,2-7H2,1H3.
What are the key properties of 1,2-dibromo-1-methylcyclooctane?
1,2-dibromo-1-methylcyclooctane has a molecular weight of 284.03 g/mol, XLogP of 4.26, 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-methylcyclooctane is sourced from PubChem (CID 18443823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).