4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene

C10H17O3P — CID 15402847

IUPAC4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene
SMILESC=CCCOP(=O)(C=C)OCCC=C
InChIInChI=1S/C10H17O3P/c1-4-7-9-12-14(11,6-3)13-10-8-5-2/h4-6H,1-3,7-10H2
InChIKeyOUMNIQYWTSERMI-UHFFFAOYSA-N
MW216.22 g/mol
LogP3.51
Rot. Bonds9

About 4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene

4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene (PubChem CID 15402847) has the molecular formula C10H17O3P and a molecular weight of 216.22 g/mol. Its IUPAC name is 4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene.

Molecular Properties

Compound Name4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene
PubChem CID15402847
Molecular FormulaC10H17O3P
Molecular Weight216.22 g/mol
Exact Mass216.09
IUPAC Name4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene
SMILESC=CCCOP(=O)(C=C)OCCC=C
InChIInChI=1S/C10H17O3P/c1-4-7-9-12-14(11,6-3)13-10-8-5-2/h4-6H,1-3,7-10H2
InChIKeyOUMNIQYWTSERMI-UHFFFAOYSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene?
The IUPAC name of 4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene (CID 15402847) is 4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene.
What is the SMILES notation for 4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene?
The canonical SMILES for 4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene is C=CCCOP(=O)(C=C)OCCC=C.
What is the InChIKey of 4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene?
The InChIKey is OUMNIQYWTSERMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O3P/c1-4-7-9-12-14(11,6-3)13-10-8-5-2/h4-6H,1-3,7-10H2.
What are the key properties of 4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene?
4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene has a molecular weight of 216.22 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[but-3-enoxy(ethenyl)phosphoryl]oxybut-1-ene is sourced from PubChem (CID 15402847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).