dec-9-enyl dihydrogen phosphate

C10H21O4P — CID 11447695

IUPACdec-9-enyl dihydrogen phosphate
SMILESC=CCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C10H21O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2H,1,3-10H2,(H2,11,12,13)
InChIKeyLVTDUQMIHPQSMK-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.01
Rot. Bonds10

About dec-9-enyl dihydrogen phosphate

dec-9-enyl dihydrogen phosphate (PubChem CID 11447695) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is dec-9-enyl dihydrogen phosphate.

Molecular Properties

Compound Namedec-9-enyl dihydrogen phosphate
PubChem CID11447695
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Namedec-9-enyl dihydrogen phosphate
SMILESC=CCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C10H21O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2H,1,3-10H2,(H2,11,12,13)
InChIKeyLVTDUQMIHPQSMK-UHFFFAOYSA-N
XLogP3.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dec-9-enyl dihydrogen phosphate?
The IUPAC name of dec-9-enyl dihydrogen phosphate (CID 11447695) is dec-9-enyl dihydrogen phosphate.
What is the SMILES notation for dec-9-enyl dihydrogen phosphate?
The canonical SMILES for dec-9-enyl dihydrogen phosphate is C=CCCCCCCCCOP(=O)(O)O.
What is the InChIKey of dec-9-enyl dihydrogen phosphate?
The InChIKey is LVTDUQMIHPQSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2H,1,3-10H2,(H2,11,12,13).
What are the key properties of dec-9-enyl dihydrogen phosphate?
dec-9-enyl dihydrogen phosphate has a molecular weight of 236.25 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enyl dihydrogen phosphate is sourced from PubChem (CID 11447695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).