2-(cyclohexen-1-yl)ethenylphosphonic acid

C8H13O3P — CID 89428022

IUPAC2-(cyclohexen-1-yl)ethenylphosphonic acid
SMILESO=P(O)(O)C=CC1=CCCCC1
InChIInChI=1S/C8H13O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H2,9,10,11)
InChIKeyZWJGNHDUVJNEFK-UHFFFAOYSA-N
MW188.16 g/mol
LogP2.18
Rot. Bonds2

About 2-(cyclohexen-1-yl)ethenylphosphonic acid

2-(cyclohexen-1-yl)ethenylphosphonic acid (PubChem CID 89428022) has the molecular formula C8H13O3P and a molecular weight of 188.16 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethenylphosphonic acid.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethenylphosphonic acid
PubChem CID89428022
Molecular FormulaC8H13O3P
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name2-(cyclohexen-1-yl)ethenylphosphonic acid
SMILESO=P(O)(O)C=CC1=CCCCC1
InChIInChI=1S/C8H13O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H2,9,10,11)
InChIKeyZWJGNHDUVJNEFK-UHFFFAOYSA-N
XLogP2.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(cyclohexen-1-yl)ethenylphosphonic acid?
The IUPAC name of 2-(cyclohexen-1-yl)ethenylphosphonic acid (CID 89428022) is 2-(cyclohexen-1-yl)ethenylphosphonic acid.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethenylphosphonic acid?
The canonical SMILES for 2-(cyclohexen-1-yl)ethenylphosphonic acid is O=P(O)(O)C=CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)ethenylphosphonic acid?
The InChIKey is ZWJGNHDUVJNEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H2,9,10,11).
What are the key properties of 2-(cyclohexen-1-yl)ethenylphosphonic acid?
2-(cyclohexen-1-yl)ethenylphosphonic acid has a molecular weight of 188.16 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethenylphosphonic acid is sourced from PubChem (CID 89428022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).