(Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid

C14H25O4P — CID 15735537

IUPAC(Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid
SMILESCCCCP(=O)(O)C/C(=C\C1CCCCC1)C(=O)O
InChIInChI=1S/C14H25O4P/c1-2-3-9-19(17,18)11-13(14(15)16)10-12-7-5-4-6-8-12/h10,12H,2-9,11H2,1H3,(H,15,16)(H,17,18)/b13-10+
InChIKeyGEAHVTDFDUUCEA-JLHYYAGUSA-N
MW288.32 g/mol
LogP3.65
Rot. Bonds7

About (Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid

(Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid (PubChem CID 15735537) has the molecular formula C14H25O4P and a molecular weight of 288.32 g/mol. Its IUPAC name is (Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid
PubChem CID15735537
Molecular FormulaC14H25O4P
Molecular Weight288.32 g/mol
Exact Mass288.15
IUPAC Name(Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid
SMILESCCCCP(=O)(O)C/C(=C\C1CCCCC1)C(=O)O
InChIInChI=1S/C14H25O4P/c1-2-3-9-19(17,18)11-13(14(15)16)10-12-7-5-4-6-8-12/h10,12H,2-9,11H2,1H3,(H,15,16)(H,17,18)/b13-10+
InChIKeyGEAHVTDFDUUCEA-JLHYYAGUSA-N
XLogP3.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid?
The IUPAC name of (Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid (CID 15735537) is (Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid?
The canonical SMILES for (Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid is CCCCP(=O)(O)C/C(=C\C1CCCCC1)C(=O)O.
What is the InChIKey of (Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid?
The InChIKey is GEAHVTDFDUUCEA-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H25O4P/c1-2-3-9-19(17,18)11-13(14(15)16)10-12-7-5-4-6-8-12/h10,12H,2-9,11H2,1H3,(H,15,16)(H,17,18)/b13-10+.
What are the key properties of (Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid?
(Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid has a molecular weight of 288.32 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[butyl(hydroxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid is sourced from PubChem (CID 15735537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).