[(E)-hex-4-enyl]phosphonic acid

C6H13O3P — CID 87731824

IUPAC[(E)-hex-4-enyl]phosphonic acid
SMILESC/C=C/CCCP(=O)(O)O
InChIInChI=1S/C6H13O3P/c1-2-3-4-5-6-10(7,8)9/h2-3H,4-6H2,1H3,(H2,7,8,9)/b3-2+
InChIKeyHGFRXQLZIKDOGD-NSCUHMNNSA-N
MW164.14 g/mol
LogP1.52
Rot. Bonds4

About [(E)-hex-4-enyl]phosphonic acid

[(E)-hex-4-enyl]phosphonic acid (PubChem CID 87731824) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is [(E)-hex-4-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-hex-4-enyl]phosphonic acid
PubChem CID87731824
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name[(E)-hex-4-enyl]phosphonic acid
SMILESC/C=C/CCCP(=O)(O)O
InChIInChI=1S/C6H13O3P/c1-2-3-4-5-6-10(7,8)9/h2-3H,4-6H2,1H3,(H2,7,8,9)/b3-2+
InChIKeyHGFRXQLZIKDOGD-NSCUHMNNSA-N
XLogP1.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-hex-4-enyl]phosphonic acid?
The IUPAC name of [(E)-hex-4-enyl]phosphonic acid (CID 87731824) is [(E)-hex-4-enyl]phosphonic acid.
What is the SMILES notation for [(E)-hex-4-enyl]phosphonic acid?
The canonical SMILES for [(E)-hex-4-enyl]phosphonic acid is C/C=C/CCCP(=O)(O)O.
What is the InChIKey of [(E)-hex-4-enyl]phosphonic acid?
The InChIKey is HGFRXQLZIKDOGD-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H13O3P/c1-2-3-4-5-6-10(7,8)9/h2-3H,4-6H2,1H3,(H2,7,8,9)/b3-2+.
What are the key properties of [(E)-hex-4-enyl]phosphonic acid?
[(E)-hex-4-enyl]phosphonic acid has a molecular weight of 164.14 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-4-enyl]phosphonic acid is sourced from PubChem (CID 87731824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).