1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene

C8H17O3P — CID 87516671

IUPAC1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene
SMILESCCC=COP(=O)(CC)OCC
InChIInChI=1S/C8H17O3P/c1-4-7-8-11-12(9,6-3)10-5-2/h7-8H,4-6H2,1-3H3
InChIKeyAFFIVRWFPJNFAX-UHFFFAOYSA-N
MW192.19 g/mol
LogP3.18
Rot. Bonds6

About 1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene

1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene (PubChem CID 87516671) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene.

Molecular Properties

Compound Name1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene
PubChem CID87516671
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene
SMILESCCC=COP(=O)(CC)OCC
InChIInChI=1S/C8H17O3P/c1-4-7-8-11-12(9,6-3)10-5-2/h7-8H,4-6H2,1-3H3
InChIKeyAFFIVRWFPJNFAX-UHFFFAOYSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 53.18
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-[ethoxy(ethyl)phosphoryl]oxybut-1-ene?
The IUPAC name of 1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene (CID 87516671) is 1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene.
What is the SMILES notation for 1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene?
The canonical SMILES for 1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene is CCC=COP(=O)(CC)OCC.
What is the InChIKey of 1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene?
The InChIKey is AFFIVRWFPJNFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3P/c1-4-7-8-11-12(9,6-3)10-5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene?
1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene has a molecular weight of 192.19 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(ethyl)phosphoryl]oxybut-1-ene is sourced from PubChem (CID 87516671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).