1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene

C10H19O3P — CID 139802021

IUPAC1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene
SMILESCCC=COP(=O)(CC)OC=CCC
InChIInChI=1S/C10H19O3P/c1-4-7-9-12-14(11,6-3)13-10-8-5-2/h7-10H,4-6H2,1-3H3
InChIKeyGBUJWDFKJMTCIB-UHFFFAOYSA-N
MW218.23 g/mol
LogP4.08
Rot. Bonds7

About 1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene

1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene (PubChem CID 139802021) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene.

Molecular Properties

Compound Name1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene
PubChem CID139802021
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene
SMILESCCC=COP(=O)(CC)OC=CCC
InChIInChI=1S/C10H19O3P/c1-4-7-9-12-14(11,6-3)13-10-8-5-2/h7-10H,4-6H2,1-3H3
InChIKeyGBUJWDFKJMTCIB-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene?
The IUPAC name of 1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene (CID 139802021) is 1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene.
What is the SMILES notation for 1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene?
The canonical SMILES for 1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene is CCC=COP(=O)(CC)OC=CCC.
What is the InChIKey of 1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene?
The InChIKey is GBUJWDFKJMTCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3P/c1-4-7-9-12-14(11,6-3)13-10-8-5-2/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene?
1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene has a molecular weight of 218.23 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[but-1-enoxy(ethyl)phosphoryl]oxybut-1-ene is sourced from PubChem (CID 139802021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).