cyclopenta-1,3-diene;ethylphosphonic acid

C7H13O3P — CID 123279176

IUPACcyclopenta-1,3-diene;ethylphosphonic acid
SMILESC1=CCC=C1.CCP(=O)(O)O
InChIInChI=1S/C5H6.C2H7O3P/c1-2-4-5-3-1;1-2-6(3,4)5/h1-4H,5H2;2H2,1H3,(H2,3,4,5)
InChIKeyBNZMBGFTRSLGGA-UHFFFAOYSA-N
MW176.15 g/mol
LogP1.69
Rot. Bonds1

About cyclopenta-1,3-diene;ethylphosphonic acid

cyclopenta-1,3-diene;ethylphosphonic acid (PubChem CID 123279176) has the molecular formula C7H13O3P and a molecular weight of 176.15 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethylphosphonic acid.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethylphosphonic acid
PubChem CID123279176
Molecular FormulaC7H13O3P
Molecular Weight176.15 g/mol
Exact Mass176.06
IUPAC Namecyclopenta-1,3-diene;ethylphosphonic acid
SMILESC1=CCC=C1.CCP(=O)(O)O
InChIInChI=1S/C5H6.C2H7O3P/c1-2-4-5-3-1;1-2-6(3,4)5/h1-4H,5H2;2H2,1H3,(H2,3,4,5)
InChIKeyBNZMBGFTRSLGGA-UHFFFAOYSA-N
XLogP1.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phosphocyclopentadiene
CID 18459630
Ethylidene-tetramethylene phosphonic acid
CID 87731824
hydroxy-oxo-[(E)-pent-3-enyl]phosphanium
CID 20026337
Cyclohexa-1,3-dien-1-ylphosphonic acid
CID 20284611
[(2E)-4-methylpenta-2,4-dien-2-yl]phosphonic acid
CID 20403109
[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid
CID 53375251
Hydroxy-oxo-pent-3-enylphosphanium
CID 54227678
Pent-2-enylphosphonic acid
CID 54265620
Dodeca-5,7,9,11-tetraen-3-ylphosphonic acid
CID 54296435
(4-Methylpenta-2,4-dien-2-yl)phosphonic acid
CID 54322802
Dodeca-3,5,7,9,11-pentaen-3-ylphosphonic acid
CID 54524514
Cyclopenta-1,4-dien-1-ylmethylphosphonic acid
CID 58371190

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethylphosphonic acid?
The IUPAC name of cyclopenta-1,3-diene;ethylphosphonic acid (CID 123279176) is cyclopenta-1,3-diene;ethylphosphonic acid.
What is the SMILES notation for cyclopenta-1,3-diene;ethylphosphonic acid?
The canonical SMILES for cyclopenta-1,3-diene;ethylphosphonic acid is C1=CCC=C1.CCP(=O)(O)O.
What is the InChIKey of cyclopenta-1,3-diene;ethylphosphonic acid?
The InChIKey is BNZMBGFTRSLGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C2H7O3P/c1-2-4-5-3-1;1-2-6(3,4)5/h1-4H,5H2;2H2,1H3,(H2,3,4,5).
What are the key properties of cyclopenta-1,3-diene;ethylphosphonic acid?
cyclopenta-1,3-diene;ethylphosphonic acid has a molecular weight of 176.15 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethylphosphonic acid is sourced from PubChem (CID 123279176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).