dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide

C7H23BrCa2O4Si2 — CID 159638481

IUPACdicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide
SMILESCO.C[Si](C)(C)[O-].C[Si](C)(C)[O-].[Br-].[Ca+2].[Ca+2].[OH-]
InChIInChI=1S/2C3H9OSi.CH4O.BrH.2Ca.H2O/c2*1-5(2,3)4;1-2;;;;/h2*1-3H3;2H,1H3;1H;;;1H2/q2*-1;;;2*+2;/p-2
InChIKeyMQARXCFHUMVOIA-UHFFFAOYSA-L
MW387.49 g/mol
LogP-3.96
Rot. Bonds

About dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide

dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide (PubChem CID 159638481) has the molecular formula C7H23BrCa2O4Si2 and a molecular weight of 387.49 g/mol. Its IUPAC name is dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide.

Molecular Properties

Compound Namedicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide
PubChem CID159638481
Molecular FormulaC7H23BrCa2O4Si2
Molecular Weight387.49 g/mol
Exact Mass385.96
IUPAC Namedicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide
SMILESCO.C[Si](C)(C)[O-].C[Si](C)(C)[O-].[Br-].[Ca+2].[Ca+2].[OH-]
InChIInChI=1S/2C3H9OSi.CH4O.BrH.2Ca.H2O/c2*1-5(2,3)4;1-2;;;;/h2*1-3H3;2H,1H3;1H;;;1H2/q2*-1;;;2*+2;/p-2
InChIKeyMQARXCFHUMVOIA-UHFFFAOYSA-L
XLogP-3.96
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 5-3.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide?
The IUPAC name of dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide (CID 159638481) is dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide.
What is the SMILES notation for dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide?
The canonical SMILES for dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide is CO.C[Si](C)(C)[O-].C[Si](C)(C)[O-].[Br-].[Ca+2].[Ca+2].[OH-].
What is the InChIKey of dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide?
The InChIKey is MQARXCFHUMVOIA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H9OSi.CH4O.BrH.2Ca.H2O/c2*1-5(2,3)4;1-2;;;;/h2*1-3H3;2H,1H3;1H;;;1H2/q2*-1;;;2*+2;/p-2.
What are the key properties of dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide?
dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide has a molecular weight of 387.49 g/mol, XLogP of -3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;methanol;bis(trimethyl(oxido)silane);bromide;hydroxide is sourced from PubChem (CID 159638481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).