alumane;ethane;phosphoric acid

C2H12AlO4P — CID 173118040

IUPACalumane;ethane;phosphoric acid
SMILESCC.O=P(O)(O)O.[AlH3]
InChIInChI=1S/C2H6.Al.H3O4P.3H/c1-2;;1-5(2,3)4;;;/h1-2H3;;(H3,1,2,3,4);;;
InChIKeyHMHNOWKAXXMPPY-UHFFFAOYSA-N
MW158.07 g/mol
LogP-1.09
Rot. Bonds

About alumane;ethane;phosphoric acid

alumane;ethane;phosphoric acid (PubChem CID 173118040) has the molecular formula C2H12AlO4P and a molecular weight of 158.07 g/mol. Its IUPAC name is alumane;ethane;phosphoric acid.

Molecular Properties

Compound Namealumane;ethane;phosphoric acid
PubChem CID173118040
Molecular FormulaC2H12AlO4P
Molecular Weight158.07 g/mol
Exact Mass158.03
IUPAC Namealumane;ethane;phosphoric acid
SMILESCC.O=P(O)(O)O.[AlH3]
InChIInChI=1S/C2H6.Al.H3O4P.3H/c1-2;;1-5(2,3)4;;;/h1-2H3;;(H3,1,2,3,4);;;
InChIKeyHMHNOWKAXXMPPY-UHFFFAOYSA-N
XLogP-1.09
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174457878
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CID 173160172
phosphoric acid;titanium
CID 173034953
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CID 175822939
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CID 173160232
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CID 18509931

Frequently Asked Questions

What is the IUPAC name of alumane;ethane;phosphoric acid?
The IUPAC name of alumane;ethane;phosphoric acid (CID 173118040) is alumane;ethane;phosphoric acid.
What is the SMILES notation for alumane;ethane;phosphoric acid?
The canonical SMILES for alumane;ethane;phosphoric acid is CC.O=P(O)(O)O.[AlH3].
What is the InChIKey of alumane;ethane;phosphoric acid?
The InChIKey is HMHNOWKAXXMPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.Al.H3O4P.3H/c1-2;;1-5(2,3)4;;;/h1-2H3;;(H3,1,2,3,4);;;.
What are the key properties of alumane;ethane;phosphoric acid?
alumane;ethane;phosphoric acid has a molecular weight of 158.07 g/mol, XLogP of -1.09, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;ethane;phosphoric acid is sourced from PubChem (CID 173118040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).