(2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium

C13H22O4P+ — CID 57294645

IUPAC(2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium
SMILESCC(C)(O)[P+](=O)CC(=CC1CCCCC1)C(=O)O
InChIInChI=1S/C13H21O4P/c1-13(2,16)18(17)9-11(12(14)15)8-10-6-4-3-5-7-10/h8,10,16H,3-7,9H2,1-2H3/p+1
InChIKeyOLFUSYIIYHYKPF-UHFFFAOYSA-O
MW273.29 g/mol
LogP3.13
Rot. Bonds5

About (2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium

(2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium (PubChem CID 57294645) has the molecular formula C13H22O4P+ and a molecular weight of 273.29 g/mol. Its IUPAC name is (2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium.

Molecular Properties

Compound Name(2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium
PubChem CID57294645
Molecular FormulaC13H22O4P+
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium
SMILESCC(C)(O)[P+](=O)CC(=CC1CCCCC1)C(=O)O
InChIInChI=1S/C13H21O4P/c1-13(2,16)18(17)9-11(12(14)15)8-10-6-4-3-5-7-10/h8,10,16H,3-7,9H2,1-2H3/p+1
InChIKeyOLFUSYIIYHYKPF-UHFFFAOYSA-O
XLogP3.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-carboxy-3-cyclohexylprop-2-enyl)-oxo-(3-phenylpropoxy)phosphanium
CID 67804824
(Z)-3-cyclohexyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid
CID 15735587
3-cyclohexyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid
CID 54259580
2-(cyclopentadecylmethylidene)-3-ethylpentanoic acid
CID 173093496
2-(cyclodecylmethylidene)-3-methylbutanoic acid
CID 66700134
(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid
CID 67876019
(4E)-4-(cyclohexylmethylidene)octane-3,6-dione
CID 134924255
3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid
CID 67084322
2-[[1-aminohexyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid
CID 54408804
(Z)-3-cyclopentyl-2-iodoprop-2-enoic acid
CID 87262408
chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid
CID 173231321
(2Z)-2-(cyclopentylmethylidene)-3-methylbutanoic acid
CID 70351288

Frequently Asked Questions

What is the IUPAC name of (2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium?
The IUPAC name of (2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium (CID 57294645) is (2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium.
What is the SMILES notation for (2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium?
The canonical SMILES for (2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium is CC(C)(O)[P+](=O)CC(=CC1CCCCC1)C(=O)O.
What is the InChIKey of (2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium?
The InChIKey is OLFUSYIIYHYKPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21O4P/c1-13(2,16)18(17)9-11(12(14)15)8-10-6-4-3-5-7-10/h8,10,16H,3-7,9H2,1-2H3/p+1.
What are the key properties of (2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium?
(2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium has a molecular weight of 273.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carboxy-3-cyclohexylprop-2-enyl)-(2-hydroxypropan-2-yl)-oxophosphanium is sourced from PubChem (CID 57294645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).