(1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol

C14H25O4P — CID 23420161

IUPAC(1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol
SMILESC=CC(C)[C@]1(O)C=CCC[C@H]1P(=O)(OCC)OCC
InChIInChI=1S/C14H25O4P/c1-5-12(4)14(15)11-9-8-10-13(14)19(16,17-6-2)18-7-3/h5,9,11-13,15H,1,6-8,10H2,2-4H3/t12?,13-,14-/m1/s1
InChIKeyPEEGKROCYQUMQO-ILMHWDKJSA-N
MW288.32 g/mol
LogP3.52
Rot. Bonds7

About (1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol

(1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol (PubChem CID 23420161) has the molecular formula C14H25O4P and a molecular weight of 288.32 g/mol. Its IUPAC name is (1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol
PubChem CID23420161
Molecular FormulaC14H25O4P
Molecular Weight288.32 g/mol
Exact Mass288.15
IUPAC Name(1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol
SMILESC=CC(C)[C@]1(O)C=CCC[C@H]1P(=O)(OCC)OCC
InChIInChI=1S/C14H25O4P/c1-5-12(4)14(15)11-9-8-10-13(14)19(16,17-6-2)18-7-3/h5,9,11-13,15H,1,6-8,10H2,2-4H3/t12?,13-,14-/m1/s1
InChIKeyPEEGKROCYQUMQO-ILMHWDKJSA-N
XLogP3.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol 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 (1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol?
The IUPAC name of (1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol (CID 23420161) is (1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol is C=CC(C)[C@]1(O)C=CCC[C@H]1P(=O)(OCC)OCC.
What is the InChIKey of (1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol?
The InChIKey is PEEGKROCYQUMQO-ILMHWDKJSA-N. The full InChI is InChI=1S/C14H25O4P/c1-5-12(4)14(15)11-9-8-10-13(14)19(16,17-6-2)18-7-3/h5,9,11-13,15H,1,6-8,10H2,2-4H3/t12?,13-,14-/m1/s1.
What are the key properties of (1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol?
(1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol has a molecular weight of 288.32 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-1-but-3-en-2-yl-6-diethoxyphosphorylcyclohex-2-en-1-ol is sourced from PubChem (CID 23420161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).