11-chloroundecyl dihydrogen phosphate

C11H24ClO4P — CID 87683965

IUPAC11-chloroundecyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCl
InChIInChI=1S/C11H24ClO4P/c12-10-8-6-4-2-1-3-5-7-9-11-16-17(13,14)15/h1-11H2,(H2,13,14,15)
InChIKeySUCJFTYPQYXRLK-UHFFFAOYSA-N
MW286.74 g/mol
LogP3.85
Rot. Bonds12

About 11-chloroundecyl dihydrogen phosphate

11-chloroundecyl dihydrogen phosphate (PubChem CID 87683965) has the molecular formula C11H24ClO4P and a molecular weight of 286.74 g/mol. Its IUPAC name is 11-chloroundecyl dihydrogen phosphate.

Molecular Properties

Compound Name11-chloroundecyl dihydrogen phosphate
PubChem CID87683965
Molecular FormulaC11H24ClO4P
Molecular Weight286.74 g/mol
Exact Mass286.11
IUPAC Name11-chloroundecyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCl
InChIInChI=1S/C11H24ClO4P/c12-10-8-6-4-2-1-3-5-7-9-11-16-17(13,14)15/h1-11H2,(H2,13,14,15)
InChIKeySUCJFTYPQYXRLK-UHFFFAOYSA-N
XLogP3.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-chloroundecyl dihydrogen phosphate?
The IUPAC name of 11-chloroundecyl dihydrogen phosphate (CID 87683965) is 11-chloroundecyl dihydrogen phosphate.
What is the SMILES notation for 11-chloroundecyl dihydrogen phosphate?
The canonical SMILES for 11-chloroundecyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCCCCCl.
What is the InChIKey of 11-chloroundecyl dihydrogen phosphate?
The InChIKey is SUCJFTYPQYXRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClO4P/c12-10-8-6-4-2-1-3-5-7-9-11-16-17(13,14)15/h1-11H2,(H2,13,14,15).
What are the key properties of 11-chloroundecyl dihydrogen phosphate?
11-chloroundecyl dihydrogen phosphate has a molecular weight of 286.74 g/mol, XLogP of 3.85, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloroundecyl dihydrogen phosphate is sourced from PubChem (CID 87683965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).