(Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid

C15H25O4P — CID 15735595

IUPAC(Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid
SMILESCC1(C)CC1P(=O)(O)C/C(=C\C1CCCCC1)C(=O)O
InChIInChI=1S/C15H25O4P/c1-15(2)9-13(15)20(18,19)10-12(14(16)17)8-11-6-4-3-5-7-11/h8,11,13H,3-7,9-10H2,1-2H3,(H,16,17)(H,18,19)/b12-8+
InChIKeyKYIWDAWSWLYMBU-XYOKQWHBSA-N
MW300.34 g/mol
LogP3.65
Rot. Bonds5

About (Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid

(Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid (PubChem CID 15735595) has the molecular formula C15H25O4P and a molecular weight of 300.34 g/mol. Its IUPAC name is (Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid
PubChem CID15735595
Molecular FormulaC15H25O4P
Molecular Weight300.34 g/mol
Exact Mass300.15
IUPAC Name(Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid
SMILESCC1(C)CC1P(=O)(O)C/C(=C\C1CCCCC1)C(=O)O
InChIInChI=1S/C15H25O4P/c1-15(2)9-13(15)20(18,19)10-12(14(16)17)8-11-6-4-3-5-7-11/h8,11,13H,3-7,9-10H2,1-2H3,(H,16,17)(H,18,19)/b12-8+
InChIKeyKYIWDAWSWLYMBU-XYOKQWHBSA-N
XLogP3.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid (CID 15735595) is (Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid is CC1(C)CC1P(=O)(O)C/C(=C\C1CCCCC1)C(=O)O.
What is the InChIKey of (Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid?
The InChIKey is KYIWDAWSWLYMBU-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H25O4P/c1-15(2)9-13(15)20(18,19)10-12(14(16)17)8-11-6-4-3-5-7-11/h8,11,13H,3-7,9-10H2,1-2H3,(H,16,17)(H,18,19)/b12-8+.
What are the key properties of (Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid?
(Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid has a molecular weight of 300.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid is sourced from PubChem (CID 15735595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).