dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride

C24H58Cl2MoO10Si2 — CID 171406239

IUPACdioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride
SMILESCC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.Cl.Cl.O=[Mo]=O
InChIInChI=1S/2C12H28O4Si.2ClH.Mo.2O/c2*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;;;;;/h2*13H,1-9H3;2*1H;;;
InChIKeyKLGUIZNHUYGMFT-UHFFFAOYSA-N
MW729.74 g/mol
LogP6.32
Rot. Bonds6

About dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride

dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride (PubChem CID 171406239) has the molecular formula C24H58Cl2MoO10Si2 and a molecular weight of 729.74 g/mol. Its IUPAC name is dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride.

Molecular Properties

Compound Namedioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride
PubChem CID171406239
Molecular FormulaC24H58Cl2MoO10Si2
Molecular Weight729.74 g/mol
Exact Mass730.20
IUPAC Namedioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride
SMILESCC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.Cl.Cl.O=[Mo]=O
InChIInChI=1S/2C12H28O4Si.2ClH.Mo.2O/c2*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;;;;;/h2*13H,1-9H3;2*1H;;;
InChIKeyKLGUIZNHUYGMFT-UHFFFAOYSA-N
XLogP6.32
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.74
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride?
The IUPAC name of dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride (CID 171406239) is dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride.
What is the SMILES notation for dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride?
The canonical SMILES for dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride is CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.Cl.Cl.O=[Mo]=O.
What is the InChIKey of dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride?
The InChIKey is KLGUIZNHUYGMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H28O4Si.2ClH.Mo.2O/c2*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;;;;;/h2*13H,1-9H3;2*1H;;;.
What are the key properties of dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride?
dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride has a molecular weight of 729.74 g/mol, XLogP of 6.32, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dioxomolybdenum;bis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);dihydrochloride is sourced from PubChem (CID 171406239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).