[(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate

C11H24O8P2 — CID 142676358

IUPAC[(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate
SMILESO=P(O)(O)O/C=C/CCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C11H24O8P2/c12-20(13,14)18-10-8-6-4-2-1-3-5-7-9-11-19-21(15,16)17/h8,10H,1-7,9,11H2,(H2,12,13,14)(H2,15,16,17)/b10-8+
InChIKeyRLGFIKMFDGWBPG-CSKARUKUSA-N
MW346.25 g/mol
LogP2.84
Rot. Bonds13

About [(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate

[(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate (PubChem CID 142676358) has the molecular formula C11H24O8P2 and a molecular weight of 346.25 g/mol. Its IUPAC name is [(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate
PubChem CID142676358
Molecular FormulaC11H24O8P2
Molecular Weight346.25 g/mol
Exact Mass346.09
IUPAC Name[(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate
SMILESO=P(O)(O)O/C=C/CCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C11H24O8P2/c12-20(13,14)18-10-8-6-4-2-1-3-5-7-9-11-19-21(15,16)17/h8,10H,1-7,9,11H2,(H2,12,13,14)(H2,15,16,17)/b10-8+
InChIKeyRLGFIKMFDGWBPG-CSKARUKUSA-N
XLogP2.84
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate?
The IUPAC name of [(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate (CID 142676358) is [(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate.
What is the SMILES notation for [(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate?
The canonical SMILES for [(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate is O=P(O)(O)O/C=C/CCCCCCCCCOP(=O)(O)O.
What is the InChIKey of [(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate?
The InChIKey is RLGFIKMFDGWBPG-CSKARUKUSA-N. The full InChI is InChI=1S/C11H24O8P2/c12-20(13,14)18-10-8-6-4-2-1-3-5-7-9-11-19-21(15,16)17/h8,10H,1-7,9,11H2,(H2,12,13,14)(H2,15,16,17)/b10-8+.
What are the key properties of [(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate?
[(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate has a molecular weight of 346.25 g/mol, XLogP of 2.84, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-11-phosphonooxyundec-1-enyl] dihydrogen phosphate is sourced from PubChem (CID 142676358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).