4-methylpent-3-enyl(phosphonooxy)phosphinic acid

C6H14O6P2 — CID 10060360

IUPAC4-methylpent-3-enyl(phosphonooxy)phosphinic acid
SMILESCC(C)=CCCP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C6H14O6P2/c1-6(2)4-3-5-13(7,8)12-14(9,10)11/h4H,3,5H2,1-2H3,(H,7,8)(H2,9,10,11)
InChIKeyFPAGLUNEYMEBTG-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.64
Rot. Bonds5

About 4-methylpent-3-enyl(phosphonooxy)phosphinic acid

4-methylpent-3-enyl(phosphonooxy)phosphinic acid (PubChem CID 10060360) has the molecular formula C6H14O6P2 and a molecular weight of 244.12 g/mol. Its IUPAC name is 4-methylpent-3-enyl(phosphonooxy)phosphinic acid.

Molecular Properties

Compound Name4-methylpent-3-enyl(phosphonooxy)phosphinic acid
PubChem CID10060360
Molecular FormulaC6H14O6P2
Molecular Weight244.12 g/mol
Exact Mass244.03
IUPAC Name4-methylpent-3-enyl(phosphonooxy)phosphinic acid
SMILESCC(C)=CCCP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C6H14O6P2/c1-6(2)4-3-5-13(7,8)12-14(9,10)11/h4H,3,5H2,1-2H3,(H,7,8)(H2,9,10,11)
InChIKeyFPAGLUNEYMEBTG-UHFFFAOYSA-N
XLogP1.64
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methylpent-3-enyl(phosphonooxy)phosphinic 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 4-methylpent-3-enyl(phosphonooxy)phosphinic acid?
The IUPAC name of 4-methylpent-3-enyl(phosphonooxy)phosphinic acid (CID 10060360) is 4-methylpent-3-enyl(phosphonooxy)phosphinic acid.
What is the SMILES notation for 4-methylpent-3-enyl(phosphonooxy)phosphinic acid?
The canonical SMILES for 4-methylpent-3-enyl(phosphonooxy)phosphinic acid is CC(C)=CCCP(=O)(O)OP(=O)(O)O.
What is the InChIKey of 4-methylpent-3-enyl(phosphonooxy)phosphinic acid?
The InChIKey is FPAGLUNEYMEBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6P2/c1-6(2)4-3-5-13(7,8)12-14(9,10)11/h4H,3,5H2,1-2H3,(H,7,8)(H2,9,10,11).
What are the key properties of 4-methylpent-3-enyl(phosphonooxy)phosphinic acid?
4-methylpent-3-enyl(phosphonooxy)phosphinic acid has a molecular weight of 244.12 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-3-enyl(phosphonooxy)phosphinic acid is sourced from PubChem (CID 10060360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).