cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate

C10H15O4P — CID 67925105

IUPACcyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate
SMILESO=PC(O)CCC(=O)OC1=CCCCC1
InChIInChI=1S/C10H15O4P/c11-9(6-7-10(12)15-13)14-8-4-2-1-3-5-8/h4,10,12H,1-3,5-7H2
InChIKeyDCBRCABOFPBIHB-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.38
Rot. Bonds5

About cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate

cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate (PubChem CID 67925105) has the molecular formula C10H15O4P and a molecular weight of 230.20 g/mol. Its IUPAC name is cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate.

Molecular Properties

Compound Namecyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate
PubChem CID67925105
Molecular FormulaC10H15O4P
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Namecyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate
SMILESO=PC(O)CCC(=O)OC1=CCCCC1
InChIInChI=1S/C10H15O4P/c11-9(6-7-10(12)15-13)14-8-4-2-1-3-5-8/h4,10,12H,1-3,5-7H2
InChIKeyDCBRCABOFPBIHB-UHFFFAOYSA-N
XLogP2.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate 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 cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate?
The IUPAC name of cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate (CID 67925105) is cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate.
What is the SMILES notation for cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate?
The canonical SMILES for cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate is O=PC(O)CCC(=O)OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate?
The InChIKey is DCBRCABOFPBIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4P/c11-9(6-7-10(12)15-13)14-8-4-2-1-3-5-8/h4,10,12H,1-3,5-7H2.
What are the key properties of cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate?
cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate has a molecular weight of 230.20 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl 4-hydroxy-4-phosphorosobutanoate is sourced from PubChem (CID 67925105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).