trans-(1R,2R)-1-bromo-2-methoxycyclopentane

C6H11BrO — CID 12522558

IUPACtrans-(1R,2R)-1-bromo-2-methoxycyclopentane
SMILESCO[C@@H]1CCC[C@H]1Br
InChIInChI=1S/C6H11BrO/c1-8-6-4-2-3-5(6)7/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyHNBGZVCNAAUYAD-PHDIDXHHSA-N
MW179.06 g/mol
LogP1.95
Rot. Bonds1

About trans-(1R,2R)-1-bromo-2-methoxycyclopentane

trans-(1R,2R)-1-bromo-2-methoxycyclopentane (PubChem CID 12522558) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is trans-(1R,2R)-1-bromo-2-methoxycyclopentane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-bromo-2-methoxycyclopentane
PubChem CID12522558
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Nametrans-(1R,2R)-1-bromo-2-methoxycyclopentane
SMILESCO[C@@H]1CCC[C@H]1Br
InChIInChI=1S/C6H11BrO/c1-8-6-4-2-3-5(6)7/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyHNBGZVCNAAUYAD-PHDIDXHHSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.95
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 trans-(1R,2R)-1-bromo-2-methoxycyclopentane?
The IUPAC name of trans-(1R,2R)-1-bromo-2-methoxycyclopentane (CID 12522558) is trans-(1R,2R)-1-bromo-2-methoxycyclopentane.
What is the SMILES notation for trans-(1R,2R)-1-bromo-2-methoxycyclopentane?
The canonical SMILES for trans-(1R,2R)-1-bromo-2-methoxycyclopentane is CO[C@@H]1CCC[C@H]1Br.
What is the InChIKey of trans-(1R,2R)-1-bromo-2-methoxycyclopentane?
The InChIKey is HNBGZVCNAAUYAD-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11BrO/c1-8-6-4-2-3-5(6)7/h5-6H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-1-bromo-2-methoxycyclopentane?
trans-(1R,2R)-1-bromo-2-methoxycyclopentane has a molecular weight of 179.06 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-bromo-2-methoxycyclopentane is sourced from PubChem (CID 12522558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).