cyclopent-3-en-1-yl dihydrogen phosphite

C5H9O3P — CID 141049076

IUPACcyclopent-3-en-1-yl dihydrogen phosphite
SMILESOP(O)OC1CC=CC1
InChIInChI=1S/C5H9O3P/c6-9(7)8-5-3-1-2-4-5/h1-2,5-7H,3-4H2
InChIKeyXANSFJSPUJCCCJ-UHFFFAOYSA-N
MW148.10 g/mol
LogP0.93
Rot. Bonds2

About cyclopent-3-en-1-yl dihydrogen phosphite

cyclopent-3-en-1-yl dihydrogen phosphite (PubChem CID 141049076) has the molecular formula C5H9O3P and a molecular weight of 148.10 g/mol. Its IUPAC name is cyclopent-3-en-1-yl dihydrogen phosphite.

Molecular Properties

Compound Namecyclopent-3-en-1-yl dihydrogen phosphite
PubChem CID141049076
Molecular FormulaC5H9O3P
Molecular Weight148.10 g/mol
Exact Mass148.03
IUPAC Namecyclopent-3-en-1-yl dihydrogen phosphite
SMILESOP(O)OC1CC=CC1
InChIInChI=1S/C5H9O3P/c6-9(7)8-5-3-1-2-4-5/h1-2,5-7H,3-4H2
InChIKeyXANSFJSPUJCCCJ-UHFFFAOYSA-N
XLogP0.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 cyclopent-3-en-1-yl dihydrogen phosphite?
The IUPAC name of cyclopent-3-en-1-yl dihydrogen phosphite (CID 141049076) is cyclopent-3-en-1-yl dihydrogen phosphite.
What is the SMILES notation for cyclopent-3-en-1-yl dihydrogen phosphite?
The canonical SMILES for cyclopent-3-en-1-yl dihydrogen phosphite is OP(O)OC1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-yl dihydrogen phosphite?
The InChIKey is XANSFJSPUJCCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O3P/c6-9(7)8-5-3-1-2-4-5/h1-2,5-7H,3-4H2.
What are the key properties of cyclopent-3-en-1-yl dihydrogen phosphite?
cyclopent-3-en-1-yl dihydrogen phosphite has a molecular weight of 148.10 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl dihydrogen phosphite is sourced from PubChem (CID 141049076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).