azane;ethoxyethane;phosphoric acid;propan-2-ol

C7H24NO6P — CID 174578801

IUPACazane;ethoxyethane;phosphoric acid;propan-2-ol
SMILESCC(C)O.CCOCC.N.O=P(O)(O)O
InChIInChI=1S/C4H10O.C3H8O.H3N.H3O4P/c1-3-5-4-2;1-3(2)4;;1-5(2,3)4/h3-4H2,1-2H3;3-4H,1-2H3;1H3;(H3,1,2,3,4)
InChIKeyHSICWDKRDTZCBH-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.66
Rot. Bonds2

About azane;ethoxyethane;phosphoric acid;propan-2-ol

azane;ethoxyethane;phosphoric acid;propan-2-ol (PubChem CID 174578801) has the molecular formula C7H24NO6P and a molecular weight of 249.24 g/mol. Its IUPAC name is azane;ethoxyethane;phosphoric acid;propan-2-ol.

Molecular Properties

Compound Nameazane;ethoxyethane;phosphoric acid;propan-2-ol
PubChem CID174578801
Molecular FormulaC7H24NO6P
Molecular Weight249.24 g/mol
Exact Mass249.13
IUPAC Nameazane;ethoxyethane;phosphoric acid;propan-2-ol
SMILESCC(C)O.CCOCC.N.O=P(O)(O)O
InChIInChI=1S/C4H10O.C3H8O.H3N.H3O4P/c1-3-5-4-2;1-3(2)4;;1-5(2,3)4/h3-4H2,1-2H3;3-4H,1-2H3;1H3;(H3,1,2,3,4)
InChIKeyHSICWDKRDTZCBH-UHFFFAOYSA-N
XLogP0.66
TPSA142.22 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;phosphoric acid;propane-1,2,3-triol
CID 87153916
ethoxyethane;(2S)-pentan-2-ol
CID 157362053
acetic acid;butane-2,3-diol;ethoxyethane
CID 174725682
1-ethoxypropan-2-yl dihydrogen phosphate
CID 139431125
ethoxyethane;methyl(methylsulfonyl)phosphinic acid
CID 87983558
azane;ethoxyethane;hydroxylamine
CID 173273228
ethoxyethane;3-hydroxybutanoic acid
CID 86729964
ethoxyethane
CID 19002445
ethoxyethane
CID 18694919
ethene;ethoxyethane;propane-1,2-diol
CID 87065647
ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324
diethyl hydrogen phosphate;phosphoric acid
CID 87753541

Frequently Asked Questions

What is the IUPAC name of azane;ethoxyethane;phosphoric acid;propan-2-ol?
The IUPAC name of azane;ethoxyethane;phosphoric acid;propan-2-ol (CID 174578801) is azane;ethoxyethane;phosphoric acid;propan-2-ol.
What is the SMILES notation for azane;ethoxyethane;phosphoric acid;propan-2-ol?
The canonical SMILES for azane;ethoxyethane;phosphoric acid;propan-2-ol is CC(C)O.CCOCC.N.O=P(O)(O)O.
What is the InChIKey of azane;ethoxyethane;phosphoric acid;propan-2-ol?
The InChIKey is HSICWDKRDTZCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8O.H3N.H3O4P/c1-3-5-4-2;1-3(2)4;;1-5(2,3)4/h3-4H2,1-2H3;3-4H,1-2H3;1H3;(H3,1,2,3,4).
What are the key properties of azane;ethoxyethane;phosphoric acid;propan-2-ol?
azane;ethoxyethane;phosphoric acid;propan-2-ol has a molecular weight of 249.24 g/mol, XLogP of 0.66, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethoxyethane;phosphoric acid;propan-2-ol is sourced from PubChem (CID 174578801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).