3-[ethoxy(ethyl)phosphoryl]cyclobutene

C8H15O2P — CID 174902042

IUPAC3-[ethoxy(ethyl)phosphoryl]cyclobutene
SMILESCCOP(=O)(CC)C1C=CC1
InChIInChI=1S/C8H15O2P/c1-3-10-11(9,4-2)8-6-5-7-8/h5-6,8H,3-4,7H2,1-2H3
InChIKeyHJBAVAALWAMSRD-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.65
Rot. Bonds4

About 3-[ethoxy(ethyl)phosphoryl]cyclobutene

3-[ethoxy(ethyl)phosphoryl]cyclobutene (PubChem CID 174902042) has the molecular formula C8H15O2P and a molecular weight of 174.18 g/mol. Its IUPAC name is 3-[ethoxy(ethyl)phosphoryl]cyclobutene.

Molecular Properties

Compound Name3-[ethoxy(ethyl)phosphoryl]cyclobutene
PubChem CID174902042
Molecular FormulaC8H15O2P
Molecular Weight174.18 g/mol
Exact Mass174.08
IUPAC Name3-[ethoxy(ethyl)phosphoryl]cyclobutene
SMILESCCOP(=O)(CC)C1C=CC1
InChIInChI=1S/C8H15O2P/c1-3-10-11(9,4-2)8-6-5-7-8/h5-6,8H,3-4,7H2,1-2H3
InChIKeyHJBAVAALWAMSRD-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(ethyl)phosphoryl]cyclohexane
CID 66729675
3-diethoxyphosphorylcyclopentene
CID 11435641
3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene
CID 151984431
[(1R,5R)-5-(diethoxyphosphorylmethoxy)cyclopent-2-en-1-yl]sulfinylbenzene
CID 22885220
[(1R)-cyclohept-2-en-1-yl] diethyl phosphate
CID 129364890
[ethoxy(ethyl)phosphoryl]oxymethylcyclopropane
CID 87083673
1-diethoxyphosphorylcyclopenta-1,3-diene
CID 89073470
2-[ethoxy(ethyl)phosphoryl]oxyoxirane
CID 57290698
[ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
CID 66796520
3-[cyclopentyl(ethoxy)phosphoryl]propan-1-ol
CID 122209368
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane
CID 160513005

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(ethyl)phosphoryl]cyclobutene?
The IUPAC name of 3-[ethoxy(ethyl)phosphoryl]cyclobutene (CID 174902042) is 3-[ethoxy(ethyl)phosphoryl]cyclobutene.
What is the SMILES notation for 3-[ethoxy(ethyl)phosphoryl]cyclobutene?
The canonical SMILES for 3-[ethoxy(ethyl)phosphoryl]cyclobutene is CCOP(=O)(CC)C1C=CC1.
What is the InChIKey of 3-[ethoxy(ethyl)phosphoryl]cyclobutene?
The InChIKey is HJBAVAALWAMSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2P/c1-3-10-11(9,4-2)8-6-5-7-8/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-[ethoxy(ethyl)phosphoryl]cyclobutene?
3-[ethoxy(ethyl)phosphoryl]cyclobutene has a molecular weight of 174.18 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(ethyl)phosphoryl]cyclobutene is sourced from PubChem (CID 174902042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).