nonane-1,4,6,8-tetrol

C9H20O4 — CID 57099696

IUPACnonane-1,4,6,8-tetrol
SMILESCC(O)CC(O)CC(O)CCCO
InChIInChI=1S/C9H20O4/c1-7(11)5-9(13)6-8(12)3-2-4-10/h7-13H,2-6H2,1H3
InChIKeyFLTWOBPDRWAAQI-UHFFFAOYSA-N
MW192.25 g/mol
LogP-0.36
Rot. Bonds7

About nonane-1,4,6,8-tetrol

nonane-1,4,6,8-tetrol (PubChem CID 57099696) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is nonane-1,4,6,8-tetrol.

Molecular Properties

Compound Namenonane-1,4,6,8-tetrol
PubChem CID57099696
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Namenonane-1,4,6,8-tetrol
SMILESCC(O)CC(O)CC(O)CCCO
InChIInChI=1S/C9H20O4/c1-7(11)5-9(13)6-8(12)3-2-4-10/h7-13H,2-6H2,1H3
InChIKeyFLTWOBPDRWAAQI-UHFFFAOYSA-N
XLogP-0.36
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

hexadecane-1,5,7,9,13,15-hexol
CID 126747879
pentadecane-1,12,14-triol
CID 90439739
(4S)-6-methylheptane-1,4-diol
CID 88522325
decane-2,4,7,9-tetrol
CID 87436016
nonane-2,4,6-triol
CID 87069137
(5R,7S)-decane-1,5,7-triol
CID 15527708
(2R,4R)-decane-2,4-diol
CID 16752205
heptane-2,4-diol
CID 161420509
(4R)-6-aminohexane-1,4-diol
CID 89292424
hexane-1,2,5-triol;hexane-1,3,6-triol
CID 175569884
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol
CID 91141504
(4R)-9-[methyl(2-methylpentyl)amino]nonane-1,4,6-triol
CID 137483974

Frequently Asked Questions

What is the IUPAC name of nonane-1,4,6,8-tetrol?
The IUPAC name of nonane-1,4,6,8-tetrol (CID 57099696) is nonane-1,4,6,8-tetrol.
What is the SMILES notation for nonane-1,4,6,8-tetrol?
The canonical SMILES for nonane-1,4,6,8-tetrol is CC(O)CC(O)CC(O)CCCO.
What is the InChIKey of nonane-1,4,6,8-tetrol?
The InChIKey is FLTWOBPDRWAAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-7(11)5-9(13)6-8(12)3-2-4-10/h7-13H,2-6H2,1H3.
What are the key properties of nonane-1,4,6,8-tetrol?
nonane-1,4,6,8-tetrol has a molecular weight of 192.25 g/mol, XLogP of -0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-1,4,6,8-tetrol is sourced from PubChem (CID 57099696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).