2-ethoxy-3,3,5-trimethyloxaphosphole

C8H15O2P — CID 2784496

IUPAC2-ethoxy-3,3,5-trimethyloxaphosphole
SMILESCCOP1OC(C)=CC1(C)C
InChIInChI=1S/C8H15O2P/c1-5-9-11-8(3,4)6-7(2)10-11/h6H,5H2,1-4H3
InChIKeySGQXVFZPVAZYLX-UHFFFAOYSA-N
MW174.18 g/mol
LogP3.05
Rot. Bonds2

About 2-ethoxy-3,3,5-trimethyloxaphosphole

2-ethoxy-3,3,5-trimethyloxaphosphole (PubChem CID 2784496) has the molecular formula C8H15O2P and a molecular weight of 174.18 g/mol. Its IUPAC name is 2-ethoxy-3,3,5-trimethyloxaphosphole.

Molecular Properties

Compound Name2-ethoxy-3,3,5-trimethyloxaphosphole
PubChem CID2784496
Molecular FormulaC8H15O2P
Molecular Weight174.18 g/mol
Exact Mass174.08
IUPAC Name2-ethoxy-3,3,5-trimethyloxaphosphole
SMILESCCOP1OC(C)=CC1(C)C
InChIInChI=1S/C8H15O2P/c1-5-9-11-8(3,4)6-7(2)10-11/h6H,5H2,1-4H3
InChIKeySGQXVFZPVAZYLX-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3,5-trimethyloxaphosphole?
The IUPAC name of 2-ethoxy-3,3,5-trimethyloxaphosphole (CID 2784496) is 2-ethoxy-3,3,5-trimethyloxaphosphole.
What is the SMILES notation for 2-ethoxy-3,3,5-trimethyloxaphosphole?
The canonical SMILES for 2-ethoxy-3,3,5-trimethyloxaphosphole is CCOP1OC(C)=CC1(C)C.
What is the InChIKey of 2-ethoxy-3,3,5-trimethyloxaphosphole?
The InChIKey is SGQXVFZPVAZYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2P/c1-5-9-11-8(3,4)6-7(2)10-11/h6H,5H2,1-4H3.
What are the key properties of 2-ethoxy-3,3,5-trimethyloxaphosphole?
2-ethoxy-3,3,5-trimethyloxaphosphole has a molecular weight of 174.18 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3,5-trimethyloxaphosphole is sourced from PubChem (CID 2784496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).