1-(2-bromocyclopentyl)-2-methoxycyclohexane

C12H21BrO — CID 130586993

IUPAC1-(2-bromocyclopentyl)-2-methoxycyclohexane
SMILESCOC1CCCCC1C1CCCC1Br
InChIInChI=1S/C12H21BrO/c1-14-12-8-3-2-5-10(12)9-6-4-7-11(9)13/h9-12H,2-8H2,1H3
InChIKeyCTYSBWNQIQNVNE-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.76
Rot. Bonds2

About 1-(2-bromocyclopentyl)-2-methoxycyclohexane

1-(2-bromocyclopentyl)-2-methoxycyclohexane (PubChem CID 130586993) has the molecular formula C12H21BrO and a molecular weight of 261.20 g/mol. Its IUPAC name is 1-(2-bromocyclopentyl)-2-methoxycyclohexane.

Molecular Properties

Compound Name1-(2-bromocyclopentyl)-2-methoxycyclohexane
PubChem CID130586993
Molecular FormulaC12H21BrO
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name1-(2-bromocyclopentyl)-2-methoxycyclohexane
SMILESCOC1CCCCC1C1CCCC1Br
InChIInChI=1S/C12H21BrO/c1-14-12-8-3-2-5-10(12)9-6-4-7-11(9)13/h9-12H,2-8H2,1H3
InChIKeyCTYSBWNQIQNVNE-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromocyclopentyl)-2-methoxycyclohexane?
The IUPAC name of 1-(2-bromocyclopentyl)-2-methoxycyclohexane (CID 130586993) is 1-(2-bromocyclopentyl)-2-methoxycyclohexane.
What is the SMILES notation for 1-(2-bromocyclopentyl)-2-methoxycyclohexane?
The canonical SMILES for 1-(2-bromocyclopentyl)-2-methoxycyclohexane is COC1CCCCC1C1CCCC1Br.
What is the InChIKey of 1-(2-bromocyclopentyl)-2-methoxycyclohexane?
The InChIKey is CTYSBWNQIQNVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO/c1-14-12-8-3-2-5-10(12)9-6-4-7-11(9)13/h9-12H,2-8H2,1H3.
What are the key properties of 1-(2-bromocyclopentyl)-2-methoxycyclohexane?
1-(2-bromocyclopentyl)-2-methoxycyclohexane has a molecular weight of 261.20 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclopentyl)-2-methoxycyclohexane is sourced from PubChem (CID 130586993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).