[hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid

C10H17O4P — CID 10105324

IUPAC[hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid
SMILESC=C(C)[C@H]1CC=C(C(O)P(=O)(O)O)CC1
InChIInChI=1S/C10H17O4P/c1-7(2)8-3-5-9(6-4-8)10(11)15(12,13)14/h5,8,10-11H,1,3-4,6H2,2H3,(H2,12,13,14)/t8-,10?/m0/s1
InChIKeyNUWYZZUMYZDNFJ-PEHGTWAWSA-N
MW232.22 g/mol
LogP1.79
Rot. Bonds3

About [hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid

[hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid (PubChem CID 10105324) has the molecular formula C10H17O4P and a molecular weight of 232.22 g/mol. Its IUPAC name is [hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid.

Molecular Properties

Compound Name[hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid
PubChem CID10105324
Molecular FormulaC10H17O4P
Molecular Weight232.22 g/mol
Exact Mass232.09
IUPAC Name[hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid
SMILESC=C(C)[C@H]1CC=C(C(O)P(=O)(O)O)CC1
InChIInChI=1S/C10H17O4P/c1-7(2)8-3-5-9(6-4-8)10(11)15(12,13)14/h5,8,10-11H,1,3-4,6H2,2H3,(H2,12,13,14)/t8-,10?/m0/s1
InChIKeyNUWYZZUMYZDNFJ-PEHGTWAWSA-N
XLogP1.79
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic 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 [hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid?
The IUPAC name of [hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid (CID 10105324) is [hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid.
What is the SMILES notation for [hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid?
The canonical SMILES for [hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid is C=C(C)[C@H]1CC=C(C(O)P(=O)(O)O)CC1.
What is the InChIKey of [hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid?
The InChIKey is NUWYZZUMYZDNFJ-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H17O4P/c1-7(2)8-3-5-9(6-4-8)10(11)15(12,13)14/h5,8,10-11H,1,3-4,6H2,2H3,(H2,12,13,14)/t8-,10?/m0/s1.
What are the key properties of [hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid?
[hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid has a molecular weight of 232.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]phosphonic acid is sourced from PubChem (CID 10105324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).