diethyl non-8-enyl phosphate

C13H27O4P — CID 164888180

IUPACdiethyl non-8-enyl phosphate
SMILESC=CCCCCCCCOP(=O)(OCC)OCC
InChIInChI=1S/C13H27O4P/c1-4-7-8-9-10-11-12-13-17-18(14,15-5-2)16-6-3/h4H,1,5-13H2,2-3H3
InChIKeyWXNIAGRPVSEFRC-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.71
Rot. Bonds13

About diethyl non-8-enyl phosphate

diethyl non-8-enyl phosphate (PubChem CID 164888180) has the molecular formula C13H27O4P and a molecular weight of 278.33 g/mol. Its IUPAC name is diethyl non-8-enyl phosphate.

Molecular Properties

Compound Namediethyl non-8-enyl phosphate
PubChem CID164888180
Molecular FormulaC13H27O4P
Molecular Weight278.33 g/mol
Exact Mass278.16
IUPAC Namediethyl non-8-enyl phosphate
SMILESC=CCCCCCCCOP(=O)(OCC)OCC
InChIInChI=1S/C13H27O4P/c1-4-7-8-9-10-11-12-13-17-18(14,15-5-2)16-6-3/h4H,1,5-13H2,2-3H3
InChIKeyWXNIAGRPVSEFRC-UHFFFAOYSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 diethyl non-8-enyl phosphate?
The IUPAC name of diethyl non-8-enyl phosphate (CID 164888180) is diethyl non-8-enyl phosphate.
What is the SMILES notation for diethyl non-8-enyl phosphate?
The canonical SMILES for diethyl non-8-enyl phosphate is C=CCCCCCCCOP(=O)(OCC)OCC.
What is the InChIKey of diethyl non-8-enyl phosphate?
The InChIKey is WXNIAGRPVSEFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O4P/c1-4-7-8-9-10-11-12-13-17-18(14,15-5-2)16-6-3/h4H,1,5-13H2,2-3H3.
What are the key properties of diethyl non-8-enyl phosphate?
diethyl non-8-enyl phosphate has a molecular weight of 278.33 g/mol, XLogP of 4.71, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl non-8-enyl phosphate is sourced from PubChem (CID 164888180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).