(3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol

C6H12O9 — CID 174687155

IUPAC(3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol
SMILESO[C@@H]1[C@H](O)C(O)(O)[C@@H](O)C(O)(O)C1(O)O
InChIInChI=1S/C6H12O9/c7-1-2(8)5(12,13)6(14,15)3(9)4(1,10)11/h1-3,7-15H/t1-,2+,3+/m0/s1
InChIKeyQOUJTGXLDQIIOU-ZVHKOUPVSA-N
MW228.15 g/mol
LogP-5.87
Rot. Bonds

About (3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol

(3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol (PubChem CID 174687155) has the molecular formula C6H12O9 and a molecular weight of 228.15 g/mol. Its IUPAC name is (3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol.

Molecular Properties

Compound Name(3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol
PubChem CID174687155
Molecular FormulaC6H12O9
Molecular Weight228.15 g/mol
Exact Mass228.05
IUPAC Name(3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol
SMILESO[C@@H]1[C@H](O)C(O)(O)[C@@H](O)C(O)(O)C1(O)O
InChIInChI=1S/C6H12O9/c7-1-2(8)5(12,13)6(14,15)3(9)4(1,10)11/h1-3,7-15H/t1-,2+,3+/m0/s1
InChIKeyQOUJTGXLDQIIOU-ZVHKOUPVSA-N
XLogP-5.87
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.15
LogP ≤ 5-5.87
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol?
The IUPAC name of (3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol (CID 174687155) is (3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol.
What is the SMILES notation for (3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol?
The canonical SMILES for (3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol is O[C@@H]1[C@H](O)C(O)(O)[C@@H](O)C(O)(O)C1(O)O.
What is the InChIKey of (3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol?
The InChIKey is QOUJTGXLDQIIOU-ZVHKOUPVSA-N. The full InChI is InChI=1S/C6H12O9/c7-1-2(8)5(12,13)6(14,15)3(9)4(1,10)11/h1-3,7-15H/t1-,2+,3+/m0/s1.
What are the key properties of (3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol?
(3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol has a molecular weight of 228.15 g/mol, XLogP of -5.87, 0 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol is sourced from PubChem (CID 174687155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).