[(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol

C10H19BrO2 — CID 7109758

IUPAC[(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
SMILESC[C@]1(CO)CC[C@@H](CO)[C@@]1(C)CBr
InChIInChI=1S/C10H19BrO2/c1-9(7-13)4-3-8(5-12)10(9,2)6-11/h8,12-13H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyYNMYGKIFOPCRMB-IVZWLZJFSA-N
MW251.16 g/mol
LogP1.79
Rot. Bonds3

About [(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol

[(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol (PubChem CID 7109758) has the molecular formula C10H19BrO2 and a molecular weight of 251.16 g/mol. Its IUPAC name is [(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
PubChem CID7109758
Molecular FormulaC10H19BrO2
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name[(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
SMILESC[C@]1(CO)CC[C@@H](CO)[C@@]1(C)CBr
InChIInChI=1S/C10H19BrO2/c1-9(7-13)4-3-8(5-12)10(9,2)6-11/h8,12-13H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyYNMYGKIFOPCRMB-IVZWLZJFSA-N
XLogP1.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol?
The IUPAC name of [(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol (CID 7109758) is [(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol.
What is the SMILES notation for [(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol?
The canonical SMILES for [(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol is C[C@]1(CO)CC[C@@H](CO)[C@@]1(C)CBr.
What is the InChIKey of [(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol?
The InChIKey is YNMYGKIFOPCRMB-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-9(7-13)4-3-8(5-12)10(9,2)6-11/h8,12-13H,3-7H2,1-2H3/t8-,9+,10+/m0/s1.
What are the key properties of [(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol?
[(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol has a molecular weight of 251.16 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol is sourced from PubChem (CID 7109758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).