octane-1,1,8,8-tetrol

C8H18O4 — CID 88519685

IUPACoctane-1,1,8,8-tetrol
SMILESOC(O)CCCCCCC(O)O
InChIInChI=1S/C8H18O4/c9-7(10)5-3-1-2-4-6-8(11)12/h7-12H,1-6H2
InChIKeyNUPSKCRTAGBJJH-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.05
Rot. Bonds7

About octane-1,1,8,8-tetrol

octane-1,1,8,8-tetrol (PubChem CID 88519685) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is octane-1,1,8,8-tetrol.

Molecular Properties

Compound Nameoctane-1,1,8,8-tetrol
PubChem CID88519685
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Nameoctane-1,1,8,8-tetrol
SMILESOC(O)CCCCCCC(O)O
InChIInChI=1S/C8H18O4/c9-7(10)5-3-1-2-4-6-8(11)12/h7-12H,1-6H2
InChIKeyNUPSKCRTAGBJJH-UHFFFAOYSA-N
XLogP-0.05
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

decane;dodecane-1,1-diol
CID 162011285
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
nonacosane-1,1-diol
CID 23066924
14-aminotetradecane-1,1-diol
CID 87370531
dodecane-1,1-diol;dihydrochloride
CID 87128887
21,21-dihydroxyhenicosylazanium chloride
CID 139822452
CID 172691644
CID 172691644
undecane-1,1,9,11-tetrol
CID 123331969
17-(hydroxyamino)heptadecane-1,1,17-triol
CID 123788893
14-(oxidoamino)tetradecane-1,1-diol
CID 87132347
methoxymethane;tridecane-1,1-diol
CID 18004105

Frequently Asked Questions

What is the IUPAC name of octane-1,1,8,8-tetrol?
The IUPAC name of octane-1,1,8,8-tetrol (CID 88519685) is octane-1,1,8,8-tetrol.
What is the SMILES notation for octane-1,1,8,8-tetrol?
The canonical SMILES for octane-1,1,8,8-tetrol is OC(O)CCCCCCC(O)O.
What is the InChIKey of octane-1,1,8,8-tetrol?
The InChIKey is NUPSKCRTAGBJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c9-7(10)5-3-1-2-4-6-8(11)12/h7-12H,1-6H2.
What are the key properties of octane-1,1,8,8-tetrol?
octane-1,1,8,8-tetrol has a molecular weight of 178.23 g/mol, XLogP of -0.05, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octane-1,1,8,8-tetrol is sourced from PubChem (CID 88519685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).