alumane;tridecyl dihydrogen phosphate

C13H32AlO4P — CID 173322009

IUPACalumane;tridecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCOP(=O)(O)O.[AlH3]
InChIInChI=1S/C13H29O4P.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;;;;/h2-13H2,1H3,(H2,14,15,16);;;;
InChIKeyBQAIEVVRFPDIEW-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.22
Rot. Bonds13

About alumane;tridecyl dihydrogen phosphate

alumane;tridecyl dihydrogen phosphate (PubChem CID 173322009) has the molecular formula C13H32AlO4P and a molecular weight of 310.35 g/mol. Its IUPAC name is alumane;tridecyl dihydrogen phosphate.

Molecular Properties

Compound Namealumane;tridecyl dihydrogen phosphate
PubChem CID173322009
Molecular FormulaC13H32AlO4P
Molecular Weight310.35 g/mol
Exact Mass310.19
IUPAC Namealumane;tridecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCOP(=O)(O)O.[AlH3]
InChIInChI=1S/C13H29O4P.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;;;;/h2-13H2,1H3,(H2,14,15,16);;;;
InChIKeyBQAIEVVRFPDIEW-UHFFFAOYSA-N
XLogP3.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.22
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

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Frequently Asked Questions

What is the IUPAC name of alumane;tridecyl dihydrogen phosphate?
The IUPAC name of alumane;tridecyl dihydrogen phosphate (CID 173322009) is alumane;tridecyl dihydrogen phosphate.
What is the SMILES notation for alumane;tridecyl dihydrogen phosphate?
The canonical SMILES for alumane;tridecyl dihydrogen phosphate is CCCCCCCCCCCCCOP(=O)(O)O.[AlH3].
What is the InChIKey of alumane;tridecyl dihydrogen phosphate?
The InChIKey is BQAIEVVRFPDIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O4P.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;;;;/h2-13H2,1H3,(H2,14,15,16);;;;.
What are the key properties of alumane;tridecyl dihydrogen phosphate?
alumane;tridecyl dihydrogen phosphate has a molecular weight of 310.35 g/mol, XLogP of 3.22, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;tridecyl dihydrogen phosphate is sourced from PubChem (CID 173322009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).