dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane

H3Ca2ClO7Si2 — CID 157442673

IUPACdicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane
SMILES[Ca+2].[Ca+2].[O-][Si](O)(O)O.[O-][Si]([O-])([O-])Cl
InChIInChI=1S/2Ca.ClO3Si.H3O4Si/c;;2*1-5(2,3)4/h;;;1-3H/q2*+2;-3;-1
InChIKeyBRVTZVLFNOFIRT-UHFFFAOYSA-N
MW286.80 g/mol
LogP-7.26
Rot. Bonds

About dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane

dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane (PubChem CID 157442673) has the molecular formula H3Ca2ClO7Si2 and a molecular weight of 286.80 g/mol. Its IUPAC name is dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane.

Molecular Properties

Compound Namedicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane
PubChem CID157442673
Molecular FormulaH3Ca2ClO7Si2
Molecular Weight286.80 g/mol
Exact Mass285.84
IUPAC Namedicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane
SMILES[Ca+2].[Ca+2].[O-][Si](O)(O)O.[O-][Si]([O-])([O-])Cl
InChIInChI=1S/2Ca.ClO3Si.H3O4Si/c;;2*1-5(2,3)4/h;;;1-3H/q2*+2;-3;-1
InChIKeyBRVTZVLFNOFIRT-UHFFFAOYSA-N
XLogP-7.26
TPSA152.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 5-7.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 173400904
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strontium;chloro(trioxido)silane;europium(3+)
CID 159761603
aluminum;calcium;strontium;zinc;phosphane;trihydroxy(oxido)silane;disilicate
CID 174522681
sodium;fluorophosphane;trihydroxy(oxido)silane
CID 172821340
hydroxy(trioxido)silane;thulium(3+)
CID 175730801
hydroxy(trioxido)silane;samarium(3+)
CID 175730888
potassium;silver;dihydroxy(dioxido)silane
CID 174425604
lithium;hydroxy(trioxido)silane;manganese(2+)
CID 157352553
hexakis(cobalt(2+));tetrakis(hydroxy(trioxido)silane);dihydrate
CID 138319617
lithium;hydroxy(trioxido)silane;iron(2+)
CID 157127640

Frequently Asked Questions

What is the IUPAC name of dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane?
The IUPAC name of dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane (CID 157442673) is dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane.
What is the SMILES notation for dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane?
The canonical SMILES for dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane is [Ca+2].[Ca+2].[O-][Si](O)(O)O.[O-][Si]([O-])([O-])Cl.
What is the InChIKey of dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane?
The InChIKey is BRVTZVLFNOFIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.ClO3Si.H3O4Si/c;;2*1-5(2,3)4/h;;;1-3H/q2*+2;-3;-1.
What are the key properties of dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane?
dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane has a molecular weight of 286.80 g/mol, XLogP of -7.26, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;chloro(trioxido)silane;trihydroxy(oxido)silane is sourced from PubChem (CID 157442673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).