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

C6H12O6 — CID 892

IUPACcyclohexane-1,2,3,4,5,6-hexol
SMILESOC1C(O)C(O)C(O)C(O)C1O
InChIInChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
InChIKeyCDAISMWEOUEBRE-UHFFFAOYSA-N
MW180.16 g/mol
LogP-3.83
Rot. Bonds

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

cyclohexane-1,2,3,4,5,6-hexol (PubChem CID 892) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is cyclohexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Namecyclohexane-1,2,3,4,5,6-hexol
PubChem CID892
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Namecyclohexane-1,2,3,4,5,6-hexol
SMILESOC1C(O)C(O)C(O)C(O)C1O
InChIInChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
InChIKeyCDAISMWEOUEBRE-UHFFFAOYSA-N
XLogP-3.83
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

Sorbitol
CID 5780
Mannitol
CID 6251
Galactitol
CID 11850
Ononitol, (+)-
CID 164619
Hexitol
CID 453
L-Sorbitol
CID 82170
L-Iditol
CID 5460044
Allitol
CID 120700
D-Altritol
CID 151263
Sequoyitol
CID 439990
Ononitol
CID 5320294
D-Iditol
CID 90540

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2,3,4,5,6-hexol?
The IUPAC name of cyclohexane-1,2,3,4,5,6-hexol (CID 892) is cyclohexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for cyclohexane-1,2,3,4,5,6-hexol?
The canonical SMILES for cyclohexane-1,2,3,4,5,6-hexol is OC1C(O)C(O)C(O)C(O)C1O.
What is the InChIKey of cyclohexane-1,2,3,4,5,6-hexol?
The InChIKey is CDAISMWEOUEBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H.
What are the key properties of cyclohexane-1,2,3,4,5,6-hexol?
cyclohexane-1,2,3,4,5,6-hexol has a molecular weight of 180.16 g/mol, XLogP of -3.83, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).