dodecyl dihydrogen phosphate;indigane

C12H30InO4P — CID 173026750

IUPACdodecyl dihydrogen phosphate;indigane
SMILESCCCCCCCCCCCCOP(=O)(O)O.[InH3]
InChIInChI=1S/C12H27O4P.In.3H/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;;;/h2-12H2,1H3,(H2,13,14,15);;;;
InChIKeyOYOGQHDPWOCYFM-UHFFFAOYSA-N
MW384.16 g/mol
LogP2.83
Rot. Bonds12

About dodecyl dihydrogen phosphate;indigane

dodecyl dihydrogen phosphate;indigane (PubChem CID 173026750) has the molecular formula C12H30InO4P and a molecular weight of 384.16 g/mol. Its IUPAC name is dodecyl dihydrogen phosphate;indigane.

Molecular Properties

Compound Namedodecyl dihydrogen phosphate;indigane
PubChem CID173026750
Molecular FormulaC12H30InO4P
Molecular Weight384.16 g/mol
Exact Mass384.09
IUPAC Namedodecyl dihydrogen phosphate;indigane
SMILESCCCCCCCCCCCCOP(=O)(O)O.[InH3]
InChIInChI=1S/C12H27O4P.In.3H/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;;;/h2-12H2,1H3,(H2,13,14,15);;;;
InChIKeyOYOGQHDPWOCYFM-UHFFFAOYSA-N
XLogP2.83
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.16
LogP ≤ 52.83
H-Bond Donors ≤ 52
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

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
CID 170842594
CID 170842594
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170843971
CID 170843971
alumane;tridecyl dihydrogen phosphate
CID 173322009
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959

Frequently Asked Questions

What is the IUPAC name of dodecyl dihydrogen phosphate;indigane?
The IUPAC name of dodecyl dihydrogen phosphate;indigane (CID 173026750) is dodecyl dihydrogen phosphate;indigane.
What is the SMILES notation for dodecyl dihydrogen phosphate;indigane?
The canonical SMILES for dodecyl dihydrogen phosphate;indigane is CCCCCCCCCCCCOP(=O)(O)O.[InH3].
What is the InChIKey of dodecyl dihydrogen phosphate;indigane?
The InChIKey is OYOGQHDPWOCYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O4P.In.3H/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;;;/h2-12H2,1H3,(H2,13,14,15);;;;.
What are the key properties of dodecyl dihydrogen phosphate;indigane?
dodecyl dihydrogen phosphate;indigane has a molecular weight of 384.16 g/mol, XLogP of 2.83, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl dihydrogen phosphate;indigane is sourced from PubChem (CID 173026750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).