diethyl [(Z)-hept-2-en-3-yl] phosphate

C11H23O4P — CID 58696439

IUPACdiethyl [(Z)-hept-2-en-3-yl] phosphate
SMILESC/C=C(/CCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C11H23O4P/c1-5-9-10-11(6-2)15-16(12,13-7-3)14-8-4/h6H,5,7-10H2,1-4H3/b11-6-
InChIKeyQOORRHPNWCDZKP-WDZFZDKYSA-N
MW250.27 g/mol
LogP4.28
Rot. Bonds9

About diethyl [(Z)-hept-2-en-3-yl] phosphate

diethyl [(Z)-hept-2-en-3-yl] phosphate (PubChem CID 58696439) has the molecular formula C11H23O4P and a molecular weight of 250.27 g/mol. Its IUPAC name is diethyl [(Z)-hept-2-en-3-yl] phosphate.

Molecular Properties

Compound Namediethyl [(Z)-hept-2-en-3-yl] phosphate
PubChem CID58696439
Molecular FormulaC11H23O4P
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Namediethyl [(Z)-hept-2-en-3-yl] phosphate
SMILESC/C=C(/CCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C11H23O4P/c1-5-9-10-11(6-2)15-16(12,13-7-3)14-8-4/h6H,5,7-10H2,1-4H3/b11-6-
InChIKeyQOORRHPNWCDZKP-WDZFZDKYSA-N
XLogP4.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl [(Z)-hept-2-en-3-yl] phosphate?
The IUPAC name of diethyl [(Z)-hept-2-en-3-yl] phosphate (CID 58696439) is diethyl [(Z)-hept-2-en-3-yl] phosphate.
What is the SMILES notation for diethyl [(Z)-hept-2-en-3-yl] phosphate?
The canonical SMILES for diethyl [(Z)-hept-2-en-3-yl] phosphate is C/C=C(/CCCC)OP(=O)(OCC)OCC.
What is the InChIKey of diethyl [(Z)-hept-2-en-3-yl] phosphate?
The InChIKey is QOORRHPNWCDZKP-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H23O4P/c1-5-9-10-11(6-2)15-16(12,13-7-3)14-8-4/h6H,5,7-10H2,1-4H3/b11-6-.
What are the key properties of diethyl [(Z)-hept-2-en-3-yl] phosphate?
diethyl [(Z)-hept-2-en-3-yl] phosphate has a molecular weight of 250.27 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(Z)-hept-2-en-3-yl] phosphate is sourced from PubChem (CID 58696439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).