tris(3,7-dimethyloctan-1-ol);oxotungsten

C30H66O4W — CID 11181447

IUPACtris(3,7-dimethyloctan-1-ol);oxotungsten
SMILESCC(C)CCCC(C)CCO.CC(C)CCCC(C)CCO.CC(C)CCCC(C)CCO.O=[W]
InChIInChI=1S/3C10H22O.O.W/c3*1-9(2)5-4-6-10(3)7-8-11;;/h3*9-11H,4-8H2,1-3H3;;
InChIKeyDSCWMMMDLWQIQJ-UHFFFAOYSA-N
MW674.69 g/mol
LogP8.37
Rot. Bonds18

About tris(3,7-dimethyloctan-1-ol);oxotungsten

tris(3,7-dimethyloctan-1-ol);oxotungsten (PubChem CID 11181447) has the molecular formula C30H66O4W and a molecular weight of 674.69 g/mol. Its IUPAC name is tris(3,7-dimethyloctan-1-ol);oxotungsten.

Molecular Properties

Compound Nametris(3,7-dimethyloctan-1-ol);oxotungsten
PubChem CID11181447
Molecular FormulaC30H66O4W
Molecular Weight674.69 g/mol
Exact Mass674.45
IUPAC Nametris(3,7-dimethyloctan-1-ol);oxotungsten
SMILESCC(C)CCCC(C)CCO.CC(C)CCCC(C)CCO.CC(C)CCCC(C)CCO.O=[W]
InChIInChI=1S/3C10H22O.O.W/c3*1-9(2)5-4-6-10(3)7-8-11;;/h3*9-11H,4-8H2,1-3H3;;
InChIKeyDSCWMMMDLWQIQJ-UHFFFAOYSA-N
XLogP8.37
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.69
LogP ≤ 58.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-dimethyloctan-1-ol
CID 7792
3,7-dimethyloctan-1-ol;ethanol
CID 175190567
2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol
CID 174818152
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
3-methyl-6-sulfanylhexan-1-ol
CID 87063689
2,5,9,13-tetramethyltetradecane
CID 58292409
3,7,11,15,18,22,26-heptamethylhentriacontane-1,30-diol
CID 163028107
3-methyldecane-1,10-diol
CID 22596513
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol
CID 139255014
CID 172712223
CID 172712223
5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol
CID 123449915

Frequently Asked Questions

What is the IUPAC name of tris(3,7-dimethyloctan-1-ol);oxotungsten?
The IUPAC name of tris(3,7-dimethyloctan-1-ol);oxotungsten (CID 11181447) is tris(3,7-dimethyloctan-1-ol);oxotungsten.
What is the SMILES notation for tris(3,7-dimethyloctan-1-ol);oxotungsten?
The canonical SMILES for tris(3,7-dimethyloctan-1-ol);oxotungsten is CC(C)CCCC(C)CCO.CC(C)CCCC(C)CCO.CC(C)CCCC(C)CCO.O=[W].
What is the InChIKey of tris(3,7-dimethyloctan-1-ol);oxotungsten?
The InChIKey is DSCWMMMDLWQIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H22O.O.W/c3*1-9(2)5-4-6-10(3)7-8-11;;/h3*9-11H,4-8H2,1-3H3;;.
What are the key properties of tris(3,7-dimethyloctan-1-ol);oxotungsten?
tris(3,7-dimethyloctan-1-ol);oxotungsten has a molecular weight of 674.69 g/mol, XLogP of 8.37, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,7-dimethyloctan-1-ol);oxotungsten is sourced from PubChem (CID 11181447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).