octane-1,3,4,5-tetrol

C8H18O4 — CID 18506400

IUPACoctane-1,3,4,5-tetrol
SMILESCCCC(O)C(O)C(O)CCO
InChIInChI=1S/C8H18O4/c1-2-3-6(10)8(12)7(11)4-5-9/h6-12H,2-5H2,1H3
InChIKeyUPZBZCXOMZXEET-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.75
Rot. Bonds6

About octane-1,3,4,5-tetrol

octane-1,3,4,5-tetrol (PubChem CID 18506400) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is octane-1,3,4,5-tetrol.

Molecular Properties

Compound Nameoctane-1,3,4,5-tetrol
PubChem CID18506400
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Nameoctane-1,3,4,5-tetrol
SMILESCCCC(O)C(O)C(O)CCO
InChIInChI=1S/C8H18O4/c1-2-3-6(10)8(12)7(11)4-5-9/h6-12H,2-5H2,1H3
InChIKeyUPZBZCXOMZXEET-UHFFFAOYSA-N
XLogP-0.75
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

decane-4,5,6,7-tetrol
CID 73238857
octane-4,5-diol;hydrate
CID 141056272
4-(2-hydroxyethyl)octane-1,5-diol
CID 173344574
nonane-1,5,6-triol
CID 174941867
(3R,4S,5S)-1,3,4,5-tetrahydroxyoctan-2-one
CID 10375309
tetrakis(hexane-1,3-diol);titanium
CID 173060887
hexane-1,3-diol;hydrochloride
CID 141150111
(2S,3S)-2-aminohexan-3-ol
CID 55285025
4-ethylhexane-1,3-diol
CID 57229845
heptane-1,2,3,4,5,7-hexol
CID 88922638
hexane-2,3-diol
CID 159913798
6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol
CID 171850439

Frequently Asked Questions

What is the IUPAC name of octane-1,3,4,5-tetrol?
The IUPAC name of octane-1,3,4,5-tetrol (CID 18506400) is octane-1,3,4,5-tetrol.
What is the SMILES notation for octane-1,3,4,5-tetrol?
The canonical SMILES for octane-1,3,4,5-tetrol is CCCC(O)C(O)C(O)CCO.
What is the InChIKey of octane-1,3,4,5-tetrol?
The InChIKey is UPZBZCXOMZXEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-2-3-6(10)8(12)7(11)4-5-9/h6-12H,2-5H2,1H3.
What are the key properties of octane-1,3,4,5-tetrol?
octane-1,3,4,5-tetrol has a molecular weight of 178.23 g/mol, XLogP of -0.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octane-1,3,4,5-tetrol is sourced from PubChem (CID 18506400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).