tetrakis(2-methylpropan-2-ol);oxomolybdenum

C16H40MoO5 — CID 154620441

IUPACtetrakis(2-methylpropan-2-ol);oxomolybdenum
SMILESCC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.O=[Mo]
InChIInChI=1S/4C4H10O.Mo.O/c4*1-4(2,3)5;;/h4*5H,1-3H3;;
InChIKeyLOYOLXLNDARARI-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.99
Rot. Bonds

About tetrakis(2-methylpropan-2-ol);oxomolybdenum

tetrakis(2-methylpropan-2-ol);oxomolybdenum (PubChem CID 154620441) has the molecular formula C16H40MoO5 and a molecular weight of 408.43 g/mol. Its IUPAC name is tetrakis(2-methylpropan-2-ol);oxomolybdenum.

Molecular Properties

Compound Nametetrakis(2-methylpropan-2-ol);oxomolybdenum
PubChem CID154620441
Molecular FormulaC16H40MoO5
Molecular Weight408.43 g/mol
Exact Mass410.19
IUPAC Nametetrakis(2-methylpropan-2-ol);oxomolybdenum
SMILESCC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.O=[Mo]
InChIInChI=1S/4C4H10O.Mo.O/c4*1-4(2,3)5;;/h4*5H,1-3H3;;
InChIKeyLOYOLXLNDARARI-UHFFFAOYSA-N
XLogP2.99
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-methylpropan-2-ol);oxomolybdenum?
The IUPAC name of tetrakis(2-methylpropan-2-ol);oxomolybdenum (CID 154620441) is tetrakis(2-methylpropan-2-ol);oxomolybdenum.
What is the SMILES notation for tetrakis(2-methylpropan-2-ol);oxomolybdenum?
The canonical SMILES for tetrakis(2-methylpropan-2-ol);oxomolybdenum is CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.O=[Mo].
What is the InChIKey of tetrakis(2-methylpropan-2-ol);oxomolybdenum?
The InChIKey is LOYOLXLNDARARI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H10O.Mo.O/c4*1-4(2,3)5;;/h4*5H,1-3H3;;.
What are the key properties of tetrakis(2-methylpropan-2-ol);oxomolybdenum?
tetrakis(2-methylpropan-2-ol);oxomolybdenum has a molecular weight of 408.43 g/mol, XLogP of 2.99, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-methylpropan-2-ol);oxomolybdenum is sourced from PubChem (CID 154620441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).