[(1S)-2,2-dibromo-1-methylcyclopropyl]methanol

C5H8Br2O — CID 915663

IUPAC[(1S)-2,2-dibromo-1-methylcyclopropyl]methanol
SMILESC[C@@]1(CO)CC1(Br)Br
InChIInChI=1S/C5H8Br2O/c1-4(3-8)2-5(4,6)7/h8H,2-3H2,1H3/t4-/m0/s1
InChIKeyPADGJMYWLXIWPF-BYPYZUCNSA-N
MW243.93 g/mol
LogP1.87
Rot. Bonds1

About [(1S)-2,2-dibromo-1-methylcyclopropyl]methanol

[(1S)-2,2-dibromo-1-methylcyclopropyl]methanol (PubChem CID 915663) has the molecular formula C5H8Br2O and a molecular weight of 243.93 g/mol. Its IUPAC name is [(1S)-2,2-dibromo-1-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S)-2,2-dibromo-1-methylcyclopropyl]methanol
PubChem CID915663
Molecular FormulaC5H8Br2O
Molecular Weight243.93 g/mol
Exact Mass241.89
IUPAC Name[(1S)-2,2-dibromo-1-methylcyclopropyl]methanol
SMILESC[C@@]1(CO)CC1(Br)Br
InChIInChI=1S/C5H8Br2O/c1-4(3-8)2-5(4,6)7/h8H,2-3H2,1H3/t4-/m0/s1
InChIKeyPADGJMYWLXIWPF-BYPYZUCNSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.93
LogP ≤ 51.87
H-Bond Donors ≤ 51
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 [(1S)-2,2-dibromo-1-methylcyclopropyl]methanol?
The IUPAC name of [(1S)-2,2-dibromo-1-methylcyclopropyl]methanol (CID 915663) is [(1S)-2,2-dibromo-1-methylcyclopropyl]methanol.
What is the SMILES notation for [(1S)-2,2-dibromo-1-methylcyclopropyl]methanol?
The canonical SMILES for [(1S)-2,2-dibromo-1-methylcyclopropyl]methanol is C[C@@]1(CO)CC1(Br)Br.
What is the InChIKey of [(1S)-2,2-dibromo-1-methylcyclopropyl]methanol?
The InChIKey is PADGJMYWLXIWPF-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8Br2O/c1-4(3-8)2-5(4,6)7/h8H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of [(1S)-2,2-dibromo-1-methylcyclopropyl]methanol?
[(1S)-2,2-dibromo-1-methylcyclopropyl]methanol has a molecular weight of 243.93 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-dibromo-1-methylcyclopropyl]methanol is sourced from PubChem (CID 915663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).