dodecyl dihydrogen phosphate;1H-imidazole

C15H31N2O4P — CID 175350826

IUPACdodecyl dihydrogen phosphate;1H-imidazole
SMILESCCCCCCCCCCCCOP(=O)(O)O.c1c[nH]cn1
InChIInChI=1S/C12H27O4P.C3H4N2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-2-5-3-4-1/h2-12H2,1H3,(H2,13,14,15);1-3H,(H,4,5)
InChIKeyOYAYDFPSKFUKHQ-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.43
Rot. Bonds12

About dodecyl dihydrogen phosphate;1H-imidazole

dodecyl dihydrogen phosphate;1H-imidazole (PubChem CID 175350826) has the molecular formula C15H31N2O4P and a molecular weight of 334.40 g/mol. Its IUPAC name is dodecyl dihydrogen phosphate;1H-imidazole.

Molecular Properties

Compound Namedodecyl dihydrogen phosphate;1H-imidazole
PubChem CID175350826
Molecular FormulaC15H31N2O4P
Molecular Weight334.40 g/mol
Exact Mass334.20
IUPAC Namedodecyl dihydrogen phosphate;1H-imidazole
SMILESCCCCCCCCCCCCOP(=O)(O)O.c1c[nH]cn1
InChIInChI=1S/C12H27O4P.C3H4N2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-2-5-3-4-1/h2-12H2,1H3,(H2,13,14,15);1-3H,(H,4,5)
InChIKeyOYAYDFPSKFUKHQ-UHFFFAOYSA-N
XLogP4.43
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
dodecyl dihydrogen phosphate;indigane
CID 173026750
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170842594
CID 170842594
CID 170843971
CID 170843971
alumane;tridecyl dihydrogen phosphate
CID 173322009
hexyl hydrogen sulfate;1H-imidazole
CID 174877822

Frequently Asked Questions

What is the IUPAC name of dodecyl dihydrogen phosphate;1H-imidazole?
The IUPAC name of dodecyl dihydrogen phosphate;1H-imidazole (CID 175350826) is dodecyl dihydrogen phosphate;1H-imidazole.
What is the SMILES notation for dodecyl dihydrogen phosphate;1H-imidazole?
The canonical SMILES for dodecyl dihydrogen phosphate;1H-imidazole is CCCCCCCCCCCCOP(=O)(O)O.c1c[nH]cn1.
What is the InChIKey of dodecyl dihydrogen phosphate;1H-imidazole?
The InChIKey is OYAYDFPSKFUKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O4P.C3H4N2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-2-5-3-4-1/h2-12H2,1H3,(H2,13,14,15);1-3H,(H,4,5).
What are the key properties of dodecyl dihydrogen phosphate;1H-imidazole?
dodecyl dihydrogen phosphate;1H-imidazole has a molecular weight of 334.40 g/mol, XLogP of 4.43, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl dihydrogen phosphate;1H-imidazole is sourced from PubChem (CID 175350826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).