methyl dihydrogen phosphite;1-pentylimidazole

C9H19N2O3P — CID 174884184

IUPACmethyl dihydrogen phosphite;1-pentylimidazole
SMILESCCCCCn1ccnc1.COP(O)O
InChIInChI=1S/C8H14N2.CH5O3P/c1-2-3-4-6-10-7-5-9-8-10;1-4-5(2)3/h5,7-8H,2-4,6H2,1H3;2-3H,1H3
InChIKeyPPPVFTIQKVLITN-UHFFFAOYSA-N
MW234.24 g/mol
LogP1.92
Rot. Bonds5

About methyl dihydrogen phosphite;1-pentylimidazole

methyl dihydrogen phosphite;1-pentylimidazole (PubChem CID 174884184) has the molecular formula C9H19N2O3P and a molecular weight of 234.24 g/mol. Its IUPAC name is methyl dihydrogen phosphite;1-pentylimidazole.

Molecular Properties

Compound Namemethyl dihydrogen phosphite;1-pentylimidazole
PubChem CID174884184
Molecular FormulaC9H19N2O3P
Molecular Weight234.24 g/mol
Exact Mass234.11
IUPAC Namemethyl dihydrogen phosphite;1-pentylimidazole
SMILESCCCCCn1ccnc1.COP(O)O
InChIInChI=1S/C8H14N2.CH5O3P/c1-2-3-4-6-10-7-5-9-8-10;1-4-5(2)3/h5,7-8H,2-4,6H2,1H3;2-3H,1H3
InChIKeyPPPVFTIQKVLITN-UHFFFAOYSA-N
XLogP1.92
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-nonylimidazole;hydrobromide
CID 175434544
carbonic acid;1-dodecylimidazole
CID 175596781
fluoroboronic acid;bis(1-pentylimidazole)
CID 173201251
acetic acid;1-decylimidazole
CID 175546754
1-[(5R)-5-methoxydecyl]imidazole
CID 118890185
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
sodium;1-butylimidazole;bromide
CID 175480877
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520
(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923
(5R)-10-imidazol-1-yldecan-5-ol
CID 118889895
1-butylimidazole;hydron;hexafluorophosphate
CID 174546653

Frequently Asked Questions

What is the IUPAC name of methyl dihydrogen phosphite;1-pentylimidazole?
The IUPAC name of methyl dihydrogen phosphite;1-pentylimidazole (CID 174884184) is methyl dihydrogen phosphite;1-pentylimidazole.
What is the SMILES notation for methyl dihydrogen phosphite;1-pentylimidazole?
The canonical SMILES for methyl dihydrogen phosphite;1-pentylimidazole is CCCCCn1ccnc1.COP(O)O.
What is the InChIKey of methyl dihydrogen phosphite;1-pentylimidazole?
The InChIKey is PPPVFTIQKVLITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.CH5O3P/c1-2-3-4-6-10-7-5-9-8-10;1-4-5(2)3/h5,7-8H,2-4,6H2,1H3;2-3H,1H3.
What are the key properties of methyl dihydrogen phosphite;1-pentylimidazole?
methyl dihydrogen phosphite;1-pentylimidazole has a molecular weight of 234.24 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl dihydrogen phosphite;1-pentylimidazole is sourced from PubChem (CID 174884184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).