decane-4,6-diol;scandium

C10H22O2Sc — CID 164810305

IUPACdecane-4,6-diol;scandium
SMILESCCCCC(O)CC(O)CCC.[Sc]
InChIInChI=1S/C10H22O2.Sc/c1-3-5-7-10(12)8-9(11)6-4-2;/h9-12H,3-8H2,1-2H3;
InChIKeyUYZFHFPMIUCFPU-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.09
Rot. Bonds7

About decane-4,6-diol;scandium

decane-4,6-diol;scandium (PubChem CID 164810305) has the molecular formula C10H22O2Sc and a molecular weight of 219.24 g/mol. Its IUPAC name is decane-4,6-diol;scandium.

Molecular Properties

Compound Namedecane-4,6-diol;scandium
PubChem CID164810305
Molecular FormulaC10H22O2Sc
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Namedecane-4,6-diol;scandium
SMILESCCCCC(O)CC(O)CCC.[Sc]
InChIInChI=1S/C10H22O2.Sc/c1-3-5-7-10(12)8-9(11)6-4-2;/h9-12H,3-8H2,1-2H3;
InChIKeyUYZFHFPMIUCFPU-UHFFFAOYSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,7S)-undecane-5,7-diol
CID 10899409
nonane-3,5-diol;scandium
CID 164810293
(5S,7R)-dodecane-5,7-diol
CID 12060471
hentriacontane-14,16-diol
CID 87514654
(6S,8S)-heptacosane-6,8-diol
CID 10693038
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
octane-3,5-diol;scandium
CID 164810284
(5R,7S)-decane-1,5,7-triol
CID 15527708
ethane-1,2-diol;octan-4-ol
CID 174867706
CID 172776718
CID 172776718
(4R,8R)-undecane-4,8-diol
CID 101372142

Frequently Asked Questions

What is the IUPAC name of decane-4,6-diol;scandium?
The IUPAC name of decane-4,6-diol;scandium (CID 164810305) is decane-4,6-diol;scandium.
What is the SMILES notation for decane-4,6-diol;scandium?
The canonical SMILES for decane-4,6-diol;scandium is CCCCC(O)CC(O)CCC.[Sc].
What is the InChIKey of decane-4,6-diol;scandium?
The InChIKey is UYZFHFPMIUCFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.Sc/c1-3-5-7-10(12)8-9(11)6-4-2;/h9-12H,3-8H2,1-2H3;.
What are the key properties of decane-4,6-diol;scandium?
decane-4,6-diol;scandium has a molecular weight of 219.24 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane-4,6-diol;scandium is sourced from PubChem (CID 164810305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).