1,5-dibromopentane-2,3-diol

C5H10Br2O2 — CID 11470996

IUPAC1,5-dibromopentane-2,3-diol
SMILESOC(CBr)C(O)CCBr
InChIInChI=1S/C5H10Br2O2/c6-2-1-4(8)5(9)3-7/h4-5,8-9H,1-3H2
InChIKeyWECZQCCTKWZMAT-UHFFFAOYSA-N
MW261.94 g/mol
LogP0.89
Rot. Bonds4

About 1,5-dibromopentane-2,3-diol

1,5-dibromopentane-2,3-diol (PubChem CID 11470996) has the molecular formula C5H10Br2O2 and a molecular weight of 261.94 g/mol. Its IUPAC name is 1,5-dibromopentane-2,3-diol.

Molecular Properties

Compound Name1,5-dibromopentane-2,3-diol
PubChem CID11470996
Molecular FormulaC5H10Br2O2
Molecular Weight261.94 g/mol
Exact Mass259.90
IUPAC Name1,5-dibromopentane-2,3-diol
SMILESOC(CBr)C(O)CCBr
InChIInChI=1S/C5H10Br2O2/c6-2-1-4(8)5(9)3-7/h4-5,8-9H,1-3H2
InChIKeyWECZQCCTKWZMAT-UHFFFAOYSA-N
XLogP0.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.94
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Mitobronitol
CID 656655
Mitolactol
CID 5284380
1,6-Dibromo-1,6-dideoxyhexitol
CID 4208
1,4-Dibromo-2,3-butanediol
CID 98512
Erythritol, 1,4-dibromo-1,4-dideoxy-, (O)-(+)-
CID 27263
2,3-Butanediol, 1,4-dibromo-, (R*,S*)-
CID 16042
4-Bromobutane-1,2-diol
CID 270812
(2R,3S,4S,5R)-1,6-dibromohexane-2,3,4,5-tetrol
CID 5284381
2,4-pentanediol, 1,5-dibromo-, (2R,4R)-
CID 641234
CID 9861408
CID 9861408
5-Bromopentane-1,2-diol
CID 21305690
(2s,3s)-1,4-Dibromobutane-2,3-diol
CID 98502

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromopentane-2,3-diol?
The IUPAC name of 1,5-dibromopentane-2,3-diol (CID 11470996) is 1,5-dibromopentane-2,3-diol.
What is the SMILES notation for 1,5-dibromopentane-2,3-diol?
The canonical SMILES for 1,5-dibromopentane-2,3-diol is OC(CBr)C(O)CCBr.
What is the InChIKey of 1,5-dibromopentane-2,3-diol?
The InChIKey is WECZQCCTKWZMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2O2/c6-2-1-4(8)5(9)3-7/h4-5,8-9H,1-3H2.
What are the key properties of 1,5-dibromopentane-2,3-diol?
1,5-dibromopentane-2,3-diol has a molecular weight of 261.94 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromopentane-2,3-diol is sourced from PubChem (CID 11470996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).