1-[ethenyl(methyl)phosphoryl]oxybutane

C7H15O2P — CID 2785349

IUPAC1-[ethenyl(methyl)phosphoryl]oxybutane
SMILESC=CP(C)(=O)OCCCC
InChIInChI=1S/C7H15O2P/c1-4-6-7-9-10(3,8)5-2/h5H,2,4,6-7H2,1,3H3
InChIKeyZDTAXHZDWJQTNL-UHFFFAOYSA-N
MW162.17 g/mol
LogP2.85
Rot. Bonds5

About 1-[ethenyl(methyl)phosphoryl]oxybutane

1-[ethenyl(methyl)phosphoryl]oxybutane (PubChem CID 2785349) has the molecular formula C7H15O2P and a molecular weight of 162.17 g/mol. Its IUPAC name is 1-[ethenyl(methyl)phosphoryl]oxybutane.

Molecular Properties

Compound Name1-[ethenyl(methyl)phosphoryl]oxybutane
PubChem CID2785349
Molecular FormulaC7H15O2P
Molecular Weight162.17 g/mol
Exact Mass162.08
IUPAC Name1-[ethenyl(methyl)phosphoryl]oxybutane
SMILESC=CP(C)(=O)OCCCC
InChIInChI=1S/C7H15O2P/c1-4-6-7-9-10(3,8)5-2/h5H,2,4,6-7H2,1,3H3
InChIKeyZDTAXHZDWJQTNL-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethenyl(methyl)phosphoryl]oxybutane?
The IUPAC name of 1-[ethenyl(methyl)phosphoryl]oxybutane (CID 2785349) is 1-[ethenyl(methyl)phosphoryl]oxybutane.
What is the SMILES notation for 1-[ethenyl(methyl)phosphoryl]oxybutane?
The canonical SMILES for 1-[ethenyl(methyl)phosphoryl]oxybutane is C=CP(C)(=O)OCCCC.
What is the InChIKey of 1-[ethenyl(methyl)phosphoryl]oxybutane?
The InChIKey is ZDTAXHZDWJQTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2P/c1-4-6-7-9-10(3,8)5-2/h5H,2,4,6-7H2,1,3H3.
What are the key properties of 1-[ethenyl(methyl)phosphoryl]oxybutane?
1-[ethenyl(methyl)phosphoryl]oxybutane has a molecular weight of 162.17 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethenyl(methyl)phosphoryl]oxybutane is sourced from PubChem (CID 2785349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).