1-ethoxy-1λ5-phospholane 1-oxide

C6H13O2P — CID 14872383

IUPAC1-ethoxy-1λ5-phospholane 1-oxide
SMILESCCOP1(=O)CCCC1
InChIInChI=1S/C6H13O2P/c1-2-8-9(7)5-3-4-6-9/h2-6H2,1H3
InChIKeyXYNDJCBOKQCYDW-UHFFFAOYSA-N
MW148.14 g/mol
LogP2.09
Rot. Bonds2

About 1-ethoxy-1λ5-phospholane 1-oxide

1-ethoxy-1λ5-phospholane 1-oxide (PubChem CID 14872383) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is 1-ethoxy-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name1-ethoxy-1λ5-phospholane 1-oxide
PubChem CID14872383
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Name1-ethoxy-1λ5-phospholane 1-oxide
SMILESCCOP1(=O)CCCC1
InChIInChI=1S/C6H13O2P/c1-2-8-9(7)5-3-4-6-9/h2-6H2,1H3
InChIKeyXYNDJCBOKQCYDW-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 52.09
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 1-ethoxy-1λ5-phospholane 1-oxide?
The IUPAC name of 1-ethoxy-1λ5-phospholane 1-oxide (CID 14872383) is 1-ethoxy-1λ5-phospholane 1-oxide.
What is the SMILES notation for 1-ethoxy-1λ5-phospholane 1-oxide?
The canonical SMILES for 1-ethoxy-1λ5-phospholane 1-oxide is CCOP1(=O)CCCC1.
What is the InChIKey of 1-ethoxy-1λ5-phospholane 1-oxide?
The InChIKey is XYNDJCBOKQCYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2P/c1-2-8-9(7)5-3-4-6-9/h2-6H2,1H3.
What are the key properties of 1-ethoxy-1λ5-phospholane 1-oxide?
1-ethoxy-1λ5-phospholane 1-oxide has a molecular weight of 148.14 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1λ5-phospholane 1-oxide is sourced from PubChem (CID 14872383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).