octane-3,5-diol;scandium

C8H18O2Sc — CID 164810284

IUPACoctane-3,5-diol;scandium
SMILESCCCC(O)CC(O)CC.[Sc]
InChIInChI=1S/C8H18O2.Sc/c1-3-5-8(10)6-7(9)4-2;/h7-10H,3-6H2,1-2H3;
InChIKeyGLTSXQWHFLQRRS-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.31
Rot. Bonds5

About octane-3,5-diol;scandium

octane-3,5-diol;scandium (PubChem CID 164810284) has the molecular formula C8H18O2Sc and a molecular weight of 191.19 g/mol. Its IUPAC name is octane-3,5-diol;scandium.

Molecular Properties

Compound Nameoctane-3,5-diol;scandium
PubChem CID164810284
Molecular FormulaC8H18O2Sc
Molecular Weight191.19 g/mol
Exact Mass191.09
IUPAC Nameoctane-3,5-diol;scandium
SMILESCCCC(O)CC(O)CC.[Sc]
InChIInChI=1S/C8H18O2.Sc/c1-3-5-8(10)6-7(9)4-2;/h7-10H,3-6H2,1-2H3;
InChIKeyGLTSXQWHFLQRRS-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
nonane-3,5-diol;scandium
CID 164810293
hexan-3-ol
CID 12178
(3R,5R)-heptane-3,5-diol
CID 12641368
decane-4,6-diol;scandium
CID 164810305
hexan-3-ol;λ2-plumbane
CID 174675580
heptane-3,4-diol;heptane-3,5-diol
CID 159964134
5-methyloctan-3-ol
CID 19931017
nonane-2,4,6-triol
CID 87069137
heptane-2,4-diol
CID 161420509
octane-3,5-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174782636
(5R,7S)-decane-1,5,7-triol
CID 15527708

Frequently Asked Questions

What is the IUPAC name of octane-3,5-diol;scandium?
The IUPAC name of octane-3,5-diol;scandium (CID 164810284) is octane-3,5-diol;scandium.
What is the SMILES notation for octane-3,5-diol;scandium?
The canonical SMILES for octane-3,5-diol;scandium is CCCC(O)CC(O)CC.[Sc].
What is the InChIKey of octane-3,5-diol;scandium?
The InChIKey is GLTSXQWHFLQRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.Sc/c1-3-5-8(10)6-7(9)4-2;/h7-10H,3-6H2,1-2H3;.
What are the key properties of octane-3,5-diol;scandium?
octane-3,5-diol;scandium has a molecular weight of 191.19 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octane-3,5-diol;scandium is sourced from PubChem (CID 164810284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).