calcium;hydride;1-phosphorosooxypropane

C3H9CaO2P — CID 173047178

IUPACcalcium;hydride;1-phosphorosooxypropane
SMILESCCCOP=O.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H7O2P.Ca.2H/c1-2-3-5-6-4;;;/h2-3H2,1H3;;;/q;+2;2*-1
InChIKeyTXNOKLHOBXIUAK-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.46
Rot. Bonds3

About calcium;hydride;1-phosphorosooxypropane

calcium;hydride;1-phosphorosooxypropane (PubChem CID 173047178) has the molecular formula C3H9CaO2P and a molecular weight of 148.16 g/mol. Its IUPAC name is calcium;hydride;1-phosphorosooxypropane.

Molecular Properties

Compound Namecalcium;hydride;1-phosphorosooxypropane
PubChem CID173047178
Molecular FormulaC3H9CaO2P
Molecular Weight148.16 g/mol
Exact Mass148.00
IUPAC Namecalcium;hydride;1-phosphorosooxypropane
SMILESCCCOP=O.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H7O2P.Ca.2H/c1-2-3-5-6-4;;;/h2-3H2,1H3;;;/q;+2;2*-1
InChIKeyTXNOKLHOBXIUAK-UHFFFAOYSA-N
XLogP1.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;1-phosphorosooxypentane
CID 173010911
1-phosphorosooxybutane;propane
CID 88827784
sodium;hydride;1-phosphorosooxyoctane
CID 173400721
alumane;1-phosphorosooxypentane
CID 174749996
1-phosphorosooxyoctadecane
CID 23002272
1-(2-phosphorosooxyethoxy)butane
CID 54124788
1-fluoro-2-phosphorosooxyethane
CID 174873392
1-fluoro-3-phosphorosooxypropane
CID 87650992
oxalonitrile;1-phosphorosooxyethane
CID 174488191
imino(propoxy)phosphane
CID 118220439
dodecan-1-amine;1-phosphorosooxyethane
CID 174517277
sodium;hydride;1-methoxypropane
CID 174682746

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;1-phosphorosooxypropane?
The IUPAC name of calcium;hydride;1-phosphorosooxypropane (CID 173047178) is calcium;hydride;1-phosphorosooxypropane.
What is the SMILES notation for calcium;hydride;1-phosphorosooxypropane?
The canonical SMILES for calcium;hydride;1-phosphorosooxypropane is CCCOP=O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;1-phosphorosooxypropane?
The InChIKey is TXNOKLHOBXIUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2P.Ca.2H/c1-2-3-5-6-4;;;/h2-3H2,1H3;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;1-phosphorosooxypropane?
calcium;hydride;1-phosphorosooxypropane has a molecular weight of 148.16 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;1-phosphorosooxypropane is sourced from PubChem (CID 173047178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).