6-bromohexane-1,2,3,4,5-pentol

C6H13BrO5 — CID 27283

IUPAC6-bromohexane-1,2,3,4,5-pentol
SMILESOCC(O)C(O)C(O)C(O)CBr
InChIInChI=1S/C6H13BrO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2H2
InChIKeyIBXOWOYVOOTHAW-UHFFFAOYSA-N
MW245.07 g/mol
LogP-2.18
Rot. Bonds5

About 6-bromohexane-1,2,3,4,5-pentol

6-bromohexane-1,2,3,4,5-pentol (PubChem CID 27283) has the molecular formula C6H13BrO5 and a molecular weight of 245.07 g/mol. Its IUPAC name is 6-bromohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-bromohexane-1,2,3,4,5-pentol
PubChem CID27283
Molecular FormulaC6H13BrO5
Molecular Weight245.07 g/mol
Exact Mass243.99
IUPAC Name6-bromohexane-1,2,3,4,5-pentol
SMILESOCC(O)C(O)C(O)C(O)CBr
InChIInChI=1S/C6H13BrO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2H2
InChIKeyIBXOWOYVOOTHAW-UHFFFAOYSA-N
XLogP-2.18
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sorbitol
CID 5780
Mannitol
CID 6251
Galactitol
CID 11850
Mitobronitol
CID 656655
Hexitol
CID 453
Mitolactol
CID 5284380
L-Sorbitol
CID 82170
L-Iditol
CID 5460044
Allitol
CID 120700
D-Altritol
CID 151263
D-Iditol
CID 90540
1,6-Dibromo-1,6-dideoxyhexitol
CID 4208

Frequently Asked Questions

What is the IUPAC name of 6-bromohexane-1,2,3,4,5-pentol?
The IUPAC name of 6-bromohexane-1,2,3,4,5-pentol (CID 27283) is 6-bromohexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-bromohexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-bromohexane-1,2,3,4,5-pentol is OCC(O)C(O)C(O)C(O)CBr.
What is the InChIKey of 6-bromohexane-1,2,3,4,5-pentol?
The InChIKey is IBXOWOYVOOTHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2H2.
What are the key properties of 6-bromohexane-1,2,3,4,5-pentol?
6-bromohexane-1,2,3,4,5-pentol has a molecular weight of 245.07 g/mol, XLogP of -2.18, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 27283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).