hexane-1,2,3,4,5,6-hexol

C6H14O6 — CID 453

IUPAChexane-1,2,3,4,5,6-hexol
SMILESOCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2
InChIKeyFBPFZTCFMRRESA-UHFFFAOYSA-N
MW182.17 g/mol
LogP-3.59
Rot. Bonds5

About hexane-1,2,3,4,5,6-hexol

hexane-1,2,3,4,5,6-hexol (PubChem CID 453) has the molecular formula C6H14O6 and a molecular weight of 182.17 g/mol. Its IUPAC name is hexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Namehexane-1,2,3,4,5,6-hexol
PubChem CID453
Molecular FormulaC6H14O6
Molecular Weight182.17 g/mol
Exact Mass182.08
IUPAC Namehexane-1,2,3,4,5,6-hexol
SMILESOCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2
InChIKeyFBPFZTCFMRRESA-UHFFFAOYSA-N
XLogP-3.59
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500182.17
LogP ≤ 5-3.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

Sorbitol
CID 5780
Mannitol
CID 6251
Galactitol
CID 11850
An inositol
CID 892
D-Arabitol
CID 94154
(2S,4R)-Pentane-1,2,3,4,5-Pentol
CID 6912
1,5-Anhydroglucitol
CID 64960
L-Arabitol
CID 439255
1,2,6-Hexanetriol
CID 7823
L-Sorbitol
CID 82170
L-Iditol
CID 5460044
Allitol
CID 120700

Frequently Asked Questions

What is the IUPAC name of hexane-1,2,3,4,5,6-hexol?
The IUPAC name of hexane-1,2,3,4,5,6-hexol (CID 453) is hexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for hexane-1,2,3,4,5,6-hexol?
The canonical SMILES for hexane-1,2,3,4,5,6-hexol is OCC(O)C(O)C(O)C(O)CO.
What is the InChIKey of hexane-1,2,3,4,5,6-hexol?
The InChIKey is FBPFZTCFMRRESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2.
What are the key properties of hexane-1,2,3,4,5,6-hexol?
hexane-1,2,3,4,5,6-hexol has a molecular weight of 182.17 g/mol, XLogP of -3.59, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).