[1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane

C13H24Br2O — CID 104650812

IUPAC[1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane
SMILESCOCCCCC(CBr)(CBr)C1CCCC1
InChIInChI=1S/C13H24Br2O/c1-16-9-5-4-8-13(10-14,11-15)12-6-2-3-7-12/h12H,2-11H2,1H3
InChIKeyGKJDYZYYMBKWDN-UHFFFAOYSA-N
MW356.14 g/mol
LogP4.77
Rot. Bonds8

About [1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane

[1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane (PubChem CID 104650812) has the molecular formula C13H24Br2O and a molecular weight of 356.14 g/mol. Its IUPAC name is [1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane.

Molecular Properties

Compound Name[1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane
PubChem CID104650812
Molecular FormulaC13H24Br2O
Molecular Weight356.14 g/mol
Exact Mass354.02
IUPAC Name[1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane
SMILESCOCCCCC(CBr)(CBr)C1CCCC1
InChIInChI=1S/C13H24Br2O/c1-16-9-5-4-8-13(10-14,11-15)12-6-2-3-7-12/h12H,2-11H2,1H3
InChIKeyGKJDYZYYMBKWDN-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.14
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane?
The IUPAC name of [1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane (CID 104650812) is [1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane.
What is the SMILES notation for [1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane?
The canonical SMILES for [1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane is COCCCCC(CBr)(CBr)C1CCCC1.
What is the InChIKey of [1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane?
The InChIKey is GKJDYZYYMBKWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Br2O/c1-16-9-5-4-8-13(10-14,11-15)12-6-2-3-7-12/h12H,2-11H2,1H3.
What are the key properties of [1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane?
[1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane has a molecular weight of 356.14 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane is sourced from PubChem (CID 104650812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).