nonane-2,4,6-triol

C9H20O3 — CID 87069137

IUPACnonane-2,4,6-triol
SMILESCCCC(O)CC(O)CC(C)O
InChIInChI=1S/C9H20O3/c1-3-4-8(11)6-9(12)5-7(2)10/h7-12H,3-6H2,1-2H3
InChIKeyTXSHYLMLVJBIEF-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.67
Rot. Bonds6

About nonane-2,4,6-triol

nonane-2,4,6-triol (PubChem CID 87069137) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is nonane-2,4,6-triol.

Molecular Properties

Compound Namenonane-2,4,6-triol
PubChem CID87069137
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Namenonane-2,4,6-triol
SMILESCCCC(O)CC(O)CC(C)O
InChIInChI=1S/C9H20O3/c1-3-4-8(11)6-9(12)5-7(2)10/h7-12H,3-6H2,1-2H3
InChIKeyTXSHYLMLVJBIEF-UHFFFAOYSA-N
XLogP0.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

heptane-2,4-diol
CID 161420509
decane-2,4,7,9-tetrol
CID 87436016
octane-3,5-diol;scandium
CID 164810284
(2R,4R)-decane-2,4-diol
CID 16752205
nonane-1,4,6,8-tetrol
CID 57099696
decane-4,6-diol;scandium
CID 164810305
2-iodoheptan-4-ol
CID 18920941
hexane-2,3-diol;hexane-2,4-diol
CID 175419293
hexadecane-1,5,7,9,13,15-hexol
CID 126747879
(5R,7S)-decane-1,5,7-triol
CID 15527708
(2R)-pentan-2-ol
CID 7014876
9-amino-2-methyldodecane-3,5,7-triol
CID 89065903

Frequently Asked Questions

What is the IUPAC name of nonane-2,4,6-triol?
The IUPAC name of nonane-2,4,6-triol (CID 87069137) is nonane-2,4,6-triol.
What is the SMILES notation for nonane-2,4,6-triol?
The canonical SMILES for nonane-2,4,6-triol is CCCC(O)CC(O)CC(C)O.
What is the InChIKey of nonane-2,4,6-triol?
The InChIKey is TXSHYLMLVJBIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-3-4-8(11)6-9(12)5-7(2)10/h7-12H,3-6H2,1-2H3.
What are the key properties of nonane-2,4,6-triol?
nonane-2,4,6-triol has a molecular weight of 176.26 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-2,4,6-triol is sourced from PubChem (CID 87069137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).