phosphono (E)-5-hydroxy-2-methylpent-2-enoate

C6H11O6P — CID 87164753

IUPACphosphono (E)-5-hydroxy-2-methylpent-2-enoate
SMILESC/C(=C\CCO)C(=O)OP(=O)(O)O
InChIInChI=1S/C6H11O6P/c1-5(3-2-4-7)6(8)12-13(9,10)11/h3,7H,2,4H2,1H3,(H2,9,10,11)/b5-3+
InChIKeyOLFLLXHHNSUHNT-HWKANZROSA-N
MW210.12 g/mol
LogP-0.05
Rot. Bonds4

About phosphono (E)-5-hydroxy-2-methylpent-2-enoate

phosphono (E)-5-hydroxy-2-methylpent-2-enoate (PubChem CID 87164753) has the molecular formula C6H11O6P and a molecular weight of 210.12 g/mol. Its IUPAC name is phosphono (E)-5-hydroxy-2-methylpent-2-enoate.

Molecular Properties

Compound Namephosphono (E)-5-hydroxy-2-methylpent-2-enoate
PubChem CID87164753
Molecular FormulaC6H11O6P
Molecular Weight210.12 g/mol
Exact Mass210.03
IUPAC Namephosphono (E)-5-hydroxy-2-methylpent-2-enoate
SMILESC/C(=C\CCO)C(=O)OP(=O)(O)O
InChIInChI=1S/C6H11O6P/c1-5(3-2-4-7)6(8)12-13(9,10)11/h3,7H,2,4H2,1H3,(H2,9,10,11)/b5-3+
InChIKeyOLFLLXHHNSUHNT-HWKANZROSA-N
XLogP-0.05
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze phosphono (E)-5-hydroxy-2-methylpent-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phosphono (E)-5-hydroxy-2-(2-hydroxyethyl)pent-2-enoate
CID 87458326
(E)-5-hydroxy-2-methylpent-2-enoic acid;phosphoric acid
CID 87164538
trichloromethyl 5-hydroxy-2-methylpent-2-enoate
CID 57306642
(5-hydroxy-2-methylpent-2-enoyl) 2-methylhexa-2,5-dienoate
CID 173366431
phosphono 3-ethyl-2-methylpent-2-enoate
CID 154158605
ethyl 7-hydroxy-2-methylhept-2-enoate
CID 71403873
1-[bis[1-[(E)-2-methylhex-2-enoyl]oxyethoxy]phosphoryloxy]ethyl (E)-2-methylhex-2-enoate
CID 139913304
3-hydroxypropyl 2-methylhex-2-enoate
CID 139671823
2-hydroxyethyl 2-methylhept-2-enoate
CID 154084583
2-phosphonooxyethyl 2-methylpentadec-2-enoate
CID 57154863
methyl (E)-2-methylhex-2-enoate
CID 5364816
phosphono 4-hydroxy-3-methyl-2-oxobutanoate
CID 175593130

Frequently Asked Questions

What is the IUPAC name of phosphono (E)-5-hydroxy-2-methylpent-2-enoate?
The IUPAC name of phosphono (E)-5-hydroxy-2-methylpent-2-enoate (CID 87164753) is phosphono (E)-5-hydroxy-2-methylpent-2-enoate.
What is the SMILES notation for phosphono (E)-5-hydroxy-2-methylpent-2-enoate?
The canonical SMILES for phosphono (E)-5-hydroxy-2-methylpent-2-enoate is C/C(=C\CCO)C(=O)OP(=O)(O)O.
What is the InChIKey of phosphono (E)-5-hydroxy-2-methylpent-2-enoate?
The InChIKey is OLFLLXHHNSUHNT-HWKANZROSA-N. The full InChI is InChI=1S/C6H11O6P/c1-5(3-2-4-7)6(8)12-13(9,10)11/h3,7H,2,4H2,1H3,(H2,9,10,11)/b5-3+.
What are the key properties of phosphono (E)-5-hydroxy-2-methylpent-2-enoate?
phosphono (E)-5-hydroxy-2-methylpent-2-enoate has a molecular weight of 210.12 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono (E)-5-hydroxy-2-methylpent-2-enoate is sourced from PubChem (CID 87164753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).