cyclopenten-1-yl diethyl phosphate

C9H17O4P — CID 11063950

IUPACcyclopenten-1-yl diethyl phosphate
SMILESCCOP(=O)(OCC)OC1=CCCC1
InChIInChI=1S/C9H17O4P/c1-3-11-14(10,12-4-2)13-9-7-5-6-8-9/h7H,3-6,8H2,1-2H3
InChIKeyFXKYSJAMVAIMCN-UHFFFAOYSA-N
MW220.20 g/mol
LogP3.25
Rot. Bonds6

About cyclopenten-1-yl diethyl phosphate

cyclopenten-1-yl diethyl phosphate (PubChem CID 11063950) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is cyclopenten-1-yl diethyl phosphate.

Molecular Properties

Compound Namecyclopenten-1-yl diethyl phosphate
PubChem CID11063950
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Namecyclopenten-1-yl diethyl phosphate
SMILESCCOP(=O)(OCC)OC1=CCCC1
InChIInChI=1S/C9H17O4P/c1-3-11-14(10,12-4-2)13-9-7-5-6-8-9/h7H,3-6,8H2,1-2H3
InChIKeyFXKYSJAMVAIMCN-UHFFFAOYSA-N
XLogP3.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopenten-1-yl diethyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexen-1-yl diethyl phosphate
CID 78196
Diethoxyphosphorylcyclopentene
CID 10774533
Di(cyclopenten-1-yloxy)-oxophosphanium
CID 57464873
1-Cyclohexen-1-yl dimethyl phosphate
CID 581627
[(1E)-cyclododecen-1-yl] diethyl phosphate
CID 10495788
1-Diethoxyphosphoryl-2-methoxycyclopentene
CID 10561648
Cyclohexen-1-yl dipropan-2-yl phosphate
CID 13860809
Diethyl (2-iodocyclopenten-1-yl) phosphate
CID 46854114
Diethyl (2-prop-2-enylcyclopenten-1-yl) phosphate
CID 46854275
[(E)-non-4-enyl] dihydrogen phosphate
CID 22971761
Hepta-1,5-dien-2-yl dimethyl phosphate
CID 54152049
Oct-4-en-4-yl dihydrogen phosphate
CID 57072232

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl diethyl phosphate?
The IUPAC name of cyclopenten-1-yl diethyl phosphate (CID 11063950) is cyclopenten-1-yl diethyl phosphate.
What is the SMILES notation for cyclopenten-1-yl diethyl phosphate?
The canonical SMILES for cyclopenten-1-yl diethyl phosphate is CCOP(=O)(OCC)OC1=CCCC1.
What is the InChIKey of cyclopenten-1-yl diethyl phosphate?
The InChIKey is FXKYSJAMVAIMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-3-11-14(10,12-4-2)13-9-7-5-6-8-9/h7H,3-6,8H2,1-2H3.
What are the key properties of cyclopenten-1-yl diethyl phosphate?
cyclopenten-1-yl diethyl phosphate has a molecular weight of 220.20 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl diethyl phosphate is sourced from PubChem (CID 11063950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).