[(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate

C10H22O8P2 — CID 142727539

IUPAC[(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate
SMILESO=P(O)(O)O/C=C/CCCCCCCCOP(=O)(O)O
InChIInChI=1S/C10H22O8P2/c11-19(12,13)17-9-7-5-3-1-2-4-6-8-10-18-20(14,15)16/h7,9H,1-6,8,10H2,(H2,11,12,13)(H2,14,15,16)/b9-7+
InChIKeyCMRPMLTYMNMVKY-VQHVLOKHSA-N
MW332.23 g/mol
LogP2.45
Rot. Bonds12

About [(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate

[(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate (PubChem CID 142727539) has the molecular formula C10H22O8P2 and a molecular weight of 332.23 g/mol. Its IUPAC name is [(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate
PubChem CID142727539
Molecular FormulaC10H22O8P2
Molecular Weight332.23 g/mol
Exact Mass332.08
IUPAC Name[(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate
SMILESO=P(O)(O)O/C=C/CCCCCCCCOP(=O)(O)O
InChIInChI=1S/C10H22O8P2/c11-19(12,13)17-9-7-5-3-1-2-4-6-8-10-18-20(14,15)16/h7,9H,1-6,8,10H2,(H2,11,12,13)(H2,14,15,16)/b9-7+
InChIKeyCMRPMLTYMNMVKY-VQHVLOKHSA-N
XLogP2.45
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.45
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)-10-phosphonooxydec-1-enyl] dihydrogen phosphate?
The IUPAC name of [(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate (CID 142727539) is [(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate.
What is the SMILES notation for [(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate?
The canonical SMILES for [(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate is O=P(O)(O)O/C=C/CCCCCCCCOP(=O)(O)O.
What is the InChIKey of [(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate?
The InChIKey is CMRPMLTYMNMVKY-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H22O8P2/c11-19(12,13)17-9-7-5-3-1-2-4-6-8-10-18-20(14,15)16/h7,9H,1-6,8,10H2,(H2,11,12,13)(H2,14,15,16)/b9-7+.
What are the key properties of [(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate?
[(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate has a molecular weight of 332.23 g/mol, XLogP of 2.45, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-10-phosphonooxydec-1-enyl] dihydrogen phosphate is sourced from PubChem (CID 142727539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).