2,4-dimethyloctane-3,5-diol;scandium

C10H22O2Sc — CID 164810303

IUPAC2,4-dimethyloctane-3,5-diol;scandium
SMILESCCCC(O)C(C)C(O)C(C)C.[Sc]
InChIInChI=1S/C10H22O2.Sc/c1-5-6-9(11)8(4)10(12)7(2)3;/h7-12H,5-6H2,1-4H3;
InChIKeyUOQGUHXIXINADZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.80
Rot. Bonds5

About 2,4-dimethyloctane-3,5-diol;scandium

2,4-dimethyloctane-3,5-diol;scandium (PubChem CID 164810303) has the molecular formula C10H22O2Sc and a molecular weight of 219.24 g/mol. Its IUPAC name is 2,4-dimethyloctane-3,5-diol;scandium.

Molecular Properties

Compound Name2,4-dimethyloctane-3,5-diol;scandium
PubChem CID164810303
Molecular FormulaC10H22O2Sc
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name2,4-dimethyloctane-3,5-diol;scandium
SMILESCCCC(O)C(C)C(O)C(C)C.[Sc]
InChIInChI=1S/C10H22O2.Sc/c1-5-6-9(11)8(4)10(12)7(2)3;/h7-12H,5-6H2,1-4H3;
InChIKeyUOQGUHXIXINADZ-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyloctane-3,5-diol
CID 164810304
(3S,4S,5R,6S,7S)-2,4,6-trimethylnonane-3,5,7-triol
CID 101070481
decane-4,5,6,7-tetrol
CID 73238857
2,2-dimethyloctane-3,5-diol;tetrakis(scandium);2,2,4,6-tetramethylheptane-3,5-diol;2,2,6-trimethylheptane-3,5-diol;2,2,4-trimethyloctane-3,5-diol
CID 164988733
hexane-2,3-diol
CID 159913798
5-propan-2-yloctan-4-ol
CID 23385171
(4S,5R)-5-propan-2-yloctan-4-ol
CID 59911289
octane-4,5-diol;hydrate
CID 141056272
3-ethyl-2-methylheptan-4-ol
CID 23384905
(4S)-3-ethyl-2-methylheptan-4-ol
CID 59039449
octane-1,3,4,5-tetrol
CID 18506400
(2S,3S)-2-aminohexan-3-ol
CID 55285025

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloctane-3,5-diol;scandium?
The IUPAC name of 2,4-dimethyloctane-3,5-diol;scandium (CID 164810303) is 2,4-dimethyloctane-3,5-diol;scandium.
What is the SMILES notation for 2,4-dimethyloctane-3,5-diol;scandium?
The canonical SMILES for 2,4-dimethyloctane-3,5-diol;scandium is CCCC(O)C(C)C(O)C(C)C.[Sc].
What is the InChIKey of 2,4-dimethyloctane-3,5-diol;scandium?
The InChIKey is UOQGUHXIXINADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.Sc/c1-5-6-9(11)8(4)10(12)7(2)3;/h7-12H,5-6H2,1-4H3;.
What are the key properties of 2,4-dimethyloctane-3,5-diol;scandium?
2,4-dimethyloctane-3,5-diol;scandium has a molecular weight of 219.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloctane-3,5-diol;scandium is sourced from PubChem (CID 164810303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).