cyclohexane-1,1,2,2,3,3-hexol

C6H12O6 — CID 22138202

IUPACcyclohexane-1,1,2,2,3,3-hexol
SMILESOC1(O)CCCC(O)(O)C1(O)O
InChIInChI=1S/C6H12O6/c7-4(8)2-1-3-5(9,10)6(4,11)12/h7-12H,1-3H2
InChIKeyFGFCSHCXBYAKOL-UHFFFAOYSA-N
MW180.16 g/mol
LogP-2.79
Rot. Bonds

About cyclohexane-1,1,2,2,3,3-hexol

cyclohexane-1,1,2,2,3,3-hexol (PubChem CID 22138202) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is cyclohexane-1,1,2,2,3,3-hexol.

Molecular Properties

Compound Namecyclohexane-1,1,2,2,3,3-hexol
PubChem CID22138202
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Namecyclohexane-1,1,2,2,3,3-hexol
SMILESOC1(O)CCCC(O)(O)C1(O)O
InChIInChI=1S/C6H12O6/c7-4(8)2-1-3-5(9,10)6(4,11)12/h7-12H,1-3H2
InChIKeyFGFCSHCXBYAKOL-UHFFFAOYSA-N
XLogP-2.79
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 ≤ 5-2.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methylcyclopentane-1,1,2-triol
CID 139968116
1-aminocyclobutan-1-ol;hydrochloride
CID 135146045
bicyclo[3.3.3]undecane-1,5-diol
CID 5251734
azanide;cyclobutane-1,1-diol;platinum(2+)
CID 170659555
2,2-dimethylcyclooctane-1,1-diol
CID 90109064
2,6-dichloro-2,6-difluorocyclohexane-1,1-diol
CID 18970970
lithium;hydride;1-methylcyclobutan-1-ol
CID 173114997
bis(1-hydroxycyclobutyl)methanone
CID 141223690
2,2,6-trichloro-6-fluorocyclohexane-1,1-diol
CID 18970946
cyclopentadecane-1,1-diol
CID 90867480
1-(1-hydroxycyclopentyl)cycloheptan-1-ol
CID 10081454
cyclononane-1,1-diol
CID 23151649

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,1,2,2,3,3-hexol?
The IUPAC name of cyclohexane-1,1,2,2,3,3-hexol (CID 22138202) is cyclohexane-1,1,2,2,3,3-hexol.
What is the SMILES notation for cyclohexane-1,1,2,2,3,3-hexol?
The canonical SMILES for cyclohexane-1,1,2,2,3,3-hexol is OC1(O)CCCC(O)(O)C1(O)O.
What is the InChIKey of cyclohexane-1,1,2,2,3,3-hexol?
The InChIKey is FGFCSHCXBYAKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6/c7-4(8)2-1-3-5(9,10)6(4,11)12/h7-12H,1-3H2.
What are the key properties of cyclohexane-1,1,2,2,3,3-hexol?
cyclohexane-1,1,2,2,3,3-hexol has a molecular weight of 180.16 g/mol, XLogP of -2.79, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,1,2,2,3,3-hexol is sourced from PubChem (CID 22138202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).