cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate

C7H11O4P — CID 161410659

IUPACcyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate
SMILESCCOP(=O)(O)OC1=CCC=C1
InChIInChI=1S/C7H11O4P/c1-2-10-12(8,9)11-7-5-3-4-6-7/h3,5-6H,2,4H2,1H3,(H,8,9)
InChIKeyVVKQBKJKGBSGNX-UHFFFAOYSA-N
MW190.13 g/mol
LogP1.98
Rot. Bonds4

About cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate

cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate (PubChem CID 161410659) has the molecular formula C7H11O4P and a molecular weight of 190.13 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate
PubChem CID161410659
Molecular FormulaC7H11O4P
Molecular Weight190.13 g/mol
Exact Mass190.04
IUPAC Namecyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate
SMILESCCOP(=O)(O)OC1=CCC=C1
InChIInChI=1S/C7H11O4P/c1-2-10-12(8,9)11-7-5-3-4-6-7/h3,5-6H,2,4H2,1H3,(H,8,9)
InChIKeyVVKQBKJKGBSGNX-UHFFFAOYSA-N
XLogP1.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclopenta-1,4-dien-1-yl ethyl hydrogen 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

1,5-Cyclohexadien-1-yl dimethyl phosphate
CID 24976317
[(3E)-hexa-3,5-dienyl] methyl hydrogen phosphate
CID 20726645
Hydroxy-oxo-pent-2-enoxyphosphanium
CID 58814287
Pent-2-enyl phosphono hydrogen phosphate
CID 76546978
Pent-3-en-2-yl phosphono hydrogen phosphate
CID 90887753
Hexa-3,5-dien-2-yl dihydrogen phosphate
CID 91408705
[(E)-pent-3-en-2-yl] dihydrogen phosphate
CID 118958606
Hepta-3,5-dien-2-yl dihydrogen phosphate
CID 123655665
Pent-2-enyl dihydrogen phosphate
CID 139789808
Pent-3-en-2-yl dihydrogen phosphate
CID 150173114
Cyclopenta-2,4-dien-1-yl dihydrogen phosphate
CID 153896710
Dodeca-2,4,6,10-tetraenyl dihydrogen phosphate
CID 154057448

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate?
The IUPAC name of cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate (CID 161410659) is cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate?
The canonical SMILES for cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate is CCOP(=O)(O)OC1=CCC=C1.
What is the InChIKey of cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate?
The InChIKey is VVKQBKJKGBSGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O4P/c1-2-10-12(8,9)11-7-5-3-4-6-7/h3,5-6H,2,4H2,1H3,(H,8,9).
What are the key properties of cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate?
cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate has a molecular weight of 190.13 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl ethyl hydrogen phosphate is sourced from PubChem (CID 161410659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).