3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene

C9H13O3P — CID 151984431

IUPAC3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene
SMILESC#CCOP(=O)(CC)OC1C=CC1
InChIInChI=1S/C9H13O3P/c1-3-8-11-13(10,4-2)12-9-6-5-7-9/h1,5-6,9H,4,7-8H2,2H3
InChIKeyUDJBVOFIYRCIDI-UHFFFAOYSA-N
MW200.17 g/mol
LogP2.19
Rot. Bonds5

About 3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene

3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene (PubChem CID 151984431) has the molecular formula C9H13O3P and a molecular weight of 200.17 g/mol. Its IUPAC name is 3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene.

Molecular Properties

Compound Name3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene
PubChem CID151984431
Molecular FormulaC9H13O3P
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene
SMILESC#CCOP(=O)(CC)OC1C=CC1
InChIInChI=1S/C9H13O3P/c1-3-8-11-13(10,4-2)12-9-6-5-7-9/h1,5-6,9H,4,7-8H2,2H3
InChIKeyUDJBVOFIYRCIDI-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene?
The IUPAC name of 3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene (CID 151984431) is 3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene.
What is the SMILES notation for 3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene?
The canonical SMILES for 3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene is C#CCOP(=O)(CC)OC1C=CC1.
What is the InChIKey of 3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene?
The InChIKey is UDJBVOFIYRCIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3P/c1-3-8-11-13(10,4-2)12-9-6-5-7-9/h1,5-6,9H,4,7-8H2,2H3.
What are the key properties of 3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene?
3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene has a molecular weight of 200.17 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene is sourced from PubChem (CID 151984431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).