calcium;trihydroxy(oxido)silane;fluoride

H3CaFO4Si — CID 173400904

IUPACcalcium;trihydroxy(oxido)silane;fluoride
SMILES[Ca+2].[F-].[O-][Si](O)(O)O
InChIInChI=1S/Ca.FH.H3O4Si/c;;1-5(2,3)4/h;1H;1-3H/q+2;;-1/p-1
InChIKeyKOHHKAKUPXKUBT-UHFFFAOYSA-M
MW154.18 g/mol
LogP-6.62
Rot. Bonds

About calcium;trihydroxy(oxido)silane;fluoride

calcium;trihydroxy(oxido)silane;fluoride (PubChem CID 173400904) has the molecular formula H3CaFO4Si and a molecular weight of 154.18 g/mol. Its IUPAC name is calcium;trihydroxy(oxido)silane;fluoride.

Molecular Properties

Compound Namecalcium;trihydroxy(oxido)silane;fluoride
PubChem CID173400904
Molecular FormulaH3CaFO4Si
Molecular Weight154.18 g/mol
Exact Mass153.94
IUPAC Namecalcium;trihydroxy(oxido)silane;fluoride
SMILES[Ca+2].[F-].[O-][Si](O)(O)O
InChIInChI=1S/Ca.FH.H3O4Si/c;;1-5(2,3)4/h;1H;1-3H/q+2;;-1/p-1
InChIKeyKOHHKAKUPXKUBT-UHFFFAOYSA-M
XLogP-6.62
TPSA83.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 5-6.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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lithium;silicic acid;trihydroxy(oxido)silane
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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
aluminum;calcium;fluoride;silicate
CID 173280710
hydroxy(trioxido)silane;samarium(3+)
CID 175730888
potassium;silver;dihydroxy(dioxido)silane
CID 174425604
lithium;hydroxy(trioxido)silane;iron(2+)
CID 157127640
lithium;hydroxy(trioxido)silane;manganese(2+)
CID 157352553
hexakis(cobalt(2+));tetrakis(hydroxy(trioxido)silane);dihydrate
CID 138319617
dihydroxy(dioxido)silane;bis(lutetium(3+));silicate
CID 159125226

Frequently Asked Questions

What is the IUPAC name of calcium;trihydroxy(oxido)silane;fluoride?
The IUPAC name of calcium;trihydroxy(oxido)silane;fluoride (CID 173400904) is calcium;trihydroxy(oxido)silane;fluoride.
What is the SMILES notation for calcium;trihydroxy(oxido)silane;fluoride?
The canonical SMILES for calcium;trihydroxy(oxido)silane;fluoride is [Ca+2].[F-].[O-][Si](O)(O)O.
What is the InChIKey of calcium;trihydroxy(oxido)silane;fluoride?
The InChIKey is KOHHKAKUPXKUBT-UHFFFAOYSA-M. The full InChI is InChI=1S/Ca.FH.H3O4Si/c;;1-5(2,3)4/h;1H;1-3H/q+2;;-1/p-1.
What are the key properties of calcium;trihydroxy(oxido)silane;fluoride?
calcium;trihydroxy(oxido)silane;fluoride has a molecular weight of 154.18 g/mol, XLogP of -6.62, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;trihydroxy(oxido)silane;fluoride is sourced from PubChem (CID 173400904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).