[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate

C10H16O4P- — CID 164683999

IUPAC[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate
SMILESC=C(C)[C@H]1CC=C(COP(=O)([O-])O)CC1
InChIInChI=1S/C10H17O4P/c1-8(2)10-5-3-9(4-6-10)7-14-15(11,12)13/h3,10H,1,4-7H2,2H3,(H2,11,12,13)/p-1/t10-/m0/s1
InChIKeyADBPPIQJVUQSMD-JTQLQIEISA-M
MW231.21 g/mol
LogP1.77
Rot. Bonds4

About [(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate

[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate (PubChem CID 164683999) has the molecular formula C10H16O4P- and a molecular weight of 231.21 g/mol. Its IUPAC name is [(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate.

Molecular Properties

Compound Name[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate
PubChem CID164683999
Molecular FormulaC10H16O4P-
Molecular Weight231.21 g/mol
Exact Mass231.08
IUPAC Name[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate
SMILESC=C(C)[C@H]1CC=C(COP(=O)([O-])O)CC1
InChIInChI=1S/C10H17O4P/c1-8(2)10-5-3-9(4-6-10)7-14-15(11,12)13/h3,10H,1,4-7H2,2H3,(H2,11,12,13)/p-1/t10-/m0/s1
InChIKeyADBPPIQJVUQSMD-JTQLQIEISA-M
XLogP1.77
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate 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 [(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate?
The IUPAC name of [(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate (CID 164683999) is [(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate.
What is the SMILES notation for [(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate?
The canonical SMILES for [(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate is C=C(C)[C@H]1CC=C(COP(=O)([O-])O)CC1.
What is the InChIKey of [(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate?
The InChIKey is ADBPPIQJVUQSMD-JTQLQIEISA-M. The full InChI is InChI=1S/C10H17O4P/c1-8(2)10-5-3-9(4-6-10)7-14-15(11,12)13/h3,10H,1,4-7H2,2H3,(H2,11,12,13)/p-1/t10-/m0/s1.
What are the key properties of [(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate?
[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate has a molecular weight of 231.21 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl hydrogen phosphate is sourced from PubChem (CID 164683999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).