2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate

C11H19O4P — CID 21217591

IUPAC2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate
SMILESCCOP(=O)(OCC)OC1=CC2CCC1C2
InChIInChI=1S/C11H19O4P/c1-3-13-16(12,14-4-2)15-11-8-9-5-6-10(11)7-9/h8-10H,3-7H2,1-2H3
InChIKeyLYEYQVUQDQCGLI-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.50
Rot. Bonds6

About 2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate

2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate (PubChem CID 21217591) has the molecular formula C11H19O4P and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate
PubChem CID21217591
Molecular FormulaC11H19O4P
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Name2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate
SMILESCCOP(=O)(OCC)OC1=CC2CCC1C2
InChIInChI=1S/C11H19O4P/c1-3-13-16(12,14-4-2)15-11-8-9-5-6-10(11)7-9/h8-10H,3-7H2,1-2H3
InChIKeyLYEYQVUQDQCGLI-UHFFFAOYSA-N
XLogP3.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate?
The IUPAC name of 2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate (CID 21217591) is 2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate?
The canonical SMILES for 2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate is CCOP(=O)(OCC)OC1=CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate?
The InChIKey is LYEYQVUQDQCGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O4P/c1-3-13-16(12,14-4-2)15-11-8-9-5-6-10(11)7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate?
2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate has a molecular weight of 246.24 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-2-enyl diethyl phosphate is sourced from PubChem (CID 21217591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).