1-cyclohexylprop-2-enylphosphonic acid

C9H17O3P — CID 22756742

IUPAC1-cyclohexylprop-2-enylphosphonic acid
SMILESC=CC(C1CCCCC1)P(=O)(O)O
InChIInChI=1S/C9H17O3P/c1-2-9(13(10,11)12)8-6-4-3-5-7-8/h2,8-9H,1,3-7H2,(H2,10,11,12)
InChIKeyLQASRZRYJCCRFB-UHFFFAOYSA-N
MW204.21 g/mol
LogP2.30
Rot. Bonds3

About 1-cyclohexylprop-2-enylphosphonic acid

1-cyclohexylprop-2-enylphosphonic acid (PubChem CID 22756742) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is 1-cyclohexylprop-2-enylphosphonic acid.

Molecular Properties

Compound Name1-cyclohexylprop-2-enylphosphonic acid
PubChem CID22756742
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Name1-cyclohexylprop-2-enylphosphonic acid
SMILESC=CC(C1CCCCC1)P(=O)(O)O
InChIInChI=1S/C9H17O3P/c1-2-9(13(10,11)12)8-6-4-3-5-7-8/h2,8-9H,1,3-7H2,(H2,10,11,12)
InChIKeyLQASRZRYJCCRFB-UHFFFAOYSA-N
XLogP2.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-cyclohexylprop-2-en-1-ol
CID 11171021
1-cyclooctylprop-2-enylhydrazine
CID 105255011
[(2R,3R,4S,5S)-7-cyclohexyl-2,3,4,5-tetrahydroxy-6-oxonon-8-enyl] dihydrogen phosphate
CID 70249268
cyclohexylmethylphosphonic acid;hydrate
CID 70153007
2-cyclopentylbut-3-enal
CID 174258878
(R)-cyclopentyl(dimethylphosphoryl)methanamine
CID 139022626
[(1S)-1-cyclohexylprop-2-enyl]azanium chloride
CID 134963376
1-cyclopentylbut-3-en-2-ol
CID 19868238
[(1S)-1-cyclohexylprop-2-enyl] acetate
CID 102474246
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
trisodium;2-(cyclohexylmethyl)-3-phosphonobutanedioic acid;hydride
CID 173326188
1-phosphonoprop-2-enylphosphonic acid
CID 19843943

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylprop-2-enylphosphonic acid?
The IUPAC name of 1-cyclohexylprop-2-enylphosphonic acid (CID 22756742) is 1-cyclohexylprop-2-enylphosphonic acid.
What is the SMILES notation for 1-cyclohexylprop-2-enylphosphonic acid?
The canonical SMILES for 1-cyclohexylprop-2-enylphosphonic acid is C=CC(C1CCCCC1)P(=O)(O)O.
What is the InChIKey of 1-cyclohexylprop-2-enylphosphonic acid?
The InChIKey is LQASRZRYJCCRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3P/c1-2-9(13(10,11)12)8-6-4-3-5-7-8/h2,8-9H,1,3-7H2,(H2,10,11,12).
What are the key properties of 1-cyclohexylprop-2-enylphosphonic acid?
1-cyclohexylprop-2-enylphosphonic acid has a molecular weight of 204.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylprop-2-enylphosphonic acid is sourced from PubChem (CID 22756742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).