cyclohexylidenemethyl(ethoxy)phosphinic acid

C9H17O3P — CID 86041854

IUPACcyclohexylidenemethyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)C=C1CCCCC1
InChIInChI=1S/C9H17O3P/c1-2-12-13(10,11)8-9-6-4-3-5-7-9/h8H,2-7H2,1H3,(H,10,11)
InChIKeyJANNBGUVABWWBY-UHFFFAOYSA-N
MW204.21 g/mol
LogP3.06
Rot. Bonds3

About cyclohexylidenemethyl(ethoxy)phosphinic acid

cyclohexylidenemethyl(ethoxy)phosphinic acid (PubChem CID 86041854) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is cyclohexylidenemethyl(ethoxy)phosphinic acid.

Molecular Properties

Compound Namecyclohexylidenemethyl(ethoxy)phosphinic acid
PubChem CID86041854
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Namecyclohexylidenemethyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)C=C1CCCCC1
InChIInChI=1S/C9H17O3P/c1-2-12-13(10,11)8-9-6-4-3-5-7-9/h8H,2-7H2,1H3,(H,10,11)
InChIKeyJANNBGUVABWWBY-UHFFFAOYSA-N
XLogP3.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylidene(diethoxyphosphoryl)methanamine
CID 21082823
2-diethoxyphosphorylhex-1-enylidenecyclohexane
CID 25215350
ethyl 2-(2-cyclohexylideneethyl)-3-oxobutanoate
CID 71735757
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
alumane;ethyl dihydrogen phosphate
CID 173113989
3-(diethoxyphosphorylmethylidene)oxetane
CID 46203851
CID 54611578
CID 54611578
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;sulfane
CID 88774651
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
diethyl hydrogen phosphate;scandium
CID 54607585

Frequently Asked Questions

What is the IUPAC name of cyclohexylidenemethyl(ethoxy)phosphinic acid?
The IUPAC name of cyclohexylidenemethyl(ethoxy)phosphinic acid (CID 86041854) is cyclohexylidenemethyl(ethoxy)phosphinic acid.
What is the SMILES notation for cyclohexylidenemethyl(ethoxy)phosphinic acid?
The canonical SMILES for cyclohexylidenemethyl(ethoxy)phosphinic acid is CCOP(=O)(O)C=C1CCCCC1.
What is the InChIKey of cyclohexylidenemethyl(ethoxy)phosphinic acid?
The InChIKey is JANNBGUVABWWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3P/c1-2-12-13(10,11)8-9-6-4-3-5-7-9/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of cyclohexylidenemethyl(ethoxy)phosphinic acid?
cyclohexylidenemethyl(ethoxy)phosphinic acid has a molecular weight of 204.21 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylidenemethyl(ethoxy)phosphinic acid is sourced from PubChem (CID 86041854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).