5-phosphorosooxypent-1-ene

C5H9O2P — CID 20669668

IUPAC5-phosphorosooxypent-1-ene
SMILESC=CCCCOP=O
InChIInChI=1S/C5H9O2P/c1-2-3-4-5-7-8-6/h2H,1,3-5H2
InChIKeyAEQSBBHFHLJNED-UHFFFAOYSA-N
MW132.10 g/mol
LogP2.18
Rot. Bonds5

About 5-phosphorosooxypent-1-ene

5-phosphorosooxypent-1-ene (PubChem CID 20669668) has the molecular formula C5H9O2P and a molecular weight of 132.10 g/mol. Its IUPAC name is 5-phosphorosooxypent-1-ene.

Molecular Properties

Compound Name5-phosphorosooxypent-1-ene
PubChem CID20669668
Molecular FormulaC5H9O2P
Molecular Weight132.10 g/mol
Exact Mass132.03
IUPAC Name5-phosphorosooxypent-1-ene
SMILESC=CCCCOP=O
InChIInChI=1S/C5H9O2P/c1-2-3-4-5-7-8-6/h2H,1,3-5H2
InChIKeyAEQSBBHFHLJNED-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.10
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phosphorosooxypent-1-ene?
The IUPAC name of 5-phosphorosooxypent-1-ene (CID 20669668) is 5-phosphorosooxypent-1-ene.
What is the SMILES notation for 5-phosphorosooxypent-1-ene?
The canonical SMILES for 5-phosphorosooxypent-1-ene is C=CCCCOP=O.
What is the InChIKey of 5-phosphorosooxypent-1-ene?
The InChIKey is AEQSBBHFHLJNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2P/c1-2-3-4-5-7-8-6/h2H,1,3-5H2.
What are the key properties of 5-phosphorosooxypent-1-ene?
5-phosphorosooxypent-1-ene has a molecular weight of 132.10 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phosphorosooxypent-1-ene is sourced from PubChem (CID 20669668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).