cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid

C9H15O3P — CID 87155995

IUPACcyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid
SMILESC=CP(=O)(O)OCC1CC=CCC1
InChIInChI=1S/C9H15O3P/c1-2-13(10,11)12-8-9-6-4-3-5-7-9/h2-4,9H,1,5-8H2,(H,10,11)
InChIKeyWCZIQQPNEWUXED-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.69
Rot. Bonds4

About cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid

cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid (PubChem CID 87155995) has the molecular formula C9H15O3P and a molecular weight of 202.19 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid
PubChem CID87155995
Molecular FormulaC9H15O3P
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Namecyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid
SMILESC=CP(=O)(O)OCC1CC=CCC1
InChIInChI=1S/C9H15O3P/c1-2-13(10,11)12-8-9-6-4-3-5-7-9/h2-4,9H,1,5-8H2,(H,10,11)
InChIKeyWCZIQQPNEWUXED-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid?
The IUPAC name of cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid (CID 87155995) is cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid.
What is the SMILES notation for cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid?
The canonical SMILES for cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid is C=CP(=O)(O)OCC1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid?
The InChIKey is WCZIQQPNEWUXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O3P/c1-2-13(10,11)12-8-9-6-4-3-5-7-9/h2-4,9H,1,5-8H2,(H,10,11).
What are the key properties of cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid?
cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid has a molecular weight of 202.19 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid is sourced from PubChem (CID 87155995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).