nonane-3,5-diol;scandium

C9H20O2Sc — CID 164810293

IUPACnonane-3,5-diol;scandium
SMILESCCCCC(O)CC(O)CC.[Sc]
InChIInChI=1S/C9H20O2.Sc/c1-3-5-6-9(11)7-8(10)4-2;/h8-11H,3-7H2,1-2H3;
InChIKeyLYBMVGDGAIJQCW-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.70
Rot. Bonds6

About nonane-3,5-diol;scandium

nonane-3,5-diol;scandium (PubChem CID 164810293) has the molecular formula C9H20O2Sc and a molecular weight of 205.21 g/mol. Its IUPAC name is nonane-3,5-diol;scandium.

Molecular Properties

Compound Namenonane-3,5-diol;scandium
PubChem CID164810293
Molecular FormulaC9H20O2Sc
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Namenonane-3,5-diol;scandium
SMILESCCCCC(O)CC(O)CC.[Sc]
InChIInChI=1S/C9H20O2.Sc/c1-3-5-6-9(11)7-8(10)4-2;/h8-11H,3-7H2,1-2H3;
InChIKeyLYBMVGDGAIJQCW-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,7S)-undecane-5,7-diol
CID 10899409
decane-4,6-diol;scandium
CID 164810305
(5S,7R)-dodecane-5,7-diol
CID 12060471
octane-3,5-diol;scandium
CID 164810284
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
(6S,8S)-heptacosane-6,8-diol
CID 10693038
triacontane-6,8-diol
CID 85096450
ethane;heptan-3-ol;yttrium
CID 178141983
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
hentriacontane-14,16-diol
CID 87514654
(3R,5R)-heptane-3,5-diol
CID 12641368
1-fluorohexan-2-ol
CID 11819078

Frequently Asked Questions

What is the IUPAC name of nonane-3,5-diol;scandium?
The IUPAC name of nonane-3,5-diol;scandium (CID 164810293) is nonane-3,5-diol;scandium.
What is the SMILES notation for nonane-3,5-diol;scandium?
The canonical SMILES for nonane-3,5-diol;scandium is CCCCC(O)CC(O)CC.[Sc].
What is the InChIKey of nonane-3,5-diol;scandium?
The InChIKey is LYBMVGDGAIJQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2.Sc/c1-3-5-6-9(11)7-8(10)4-2;/h8-11H,3-7H2,1-2H3;.
What are the key properties of nonane-3,5-diol;scandium?
nonane-3,5-diol;scandium has a molecular weight of 205.21 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-3,5-diol;scandium is sourced from PubChem (CID 164810293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).