CID 122447936

C4H8O2P2 — CID 122447936

IUPAC—
SMILESC=CCPO[P+](=C)[O-]
InChIInChI=1S/C4H8O2P2/c1-3-4-7-6-8(2)5/h3,7H,1-2,4H2
InChIKeyCGACOCNUTIQSIV-UHFFFAOYSA-N
MW150.05 g/mol
LogP0.89
Rot. Bonds4

About CID 122447936

CID 122447936 (PubChem CID 122447936) has the molecular formula C4H8O2P2 and a molecular weight of 150.05 g/mol.

Molecular Properties

Compound NameCID 122447936
PubChem CID122447936
Molecular FormulaC4H8O2P2
Molecular Weight150.05 g/mol
Exact Mass150.00
IUPAC Name—
SMILESC=CCPO[P+](=C)[O-]
InChIInChI=1S/C4H8O2P2/c1-3-4-7-6-8(2)5/h3,7H,1-2,4H2
InChIKeyCGACOCNUTIQSIV-UHFFFAOYSA-N
XLogP0.89
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.05
LogP ≤ 50.89
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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Related Compounds

6-iodohexa-1,4-diene
CID 73158271
dioxido(oxo)phosphanium;prop-2-ene-1-thiol
CID 23361438
CID 58219183
CID 58219183
CID 123645963
CID 123645963
sodium 3-oxidooxyprop-1-ene
CID 173219790
prop-2-enyl-(4-prop-2-enylphosphanylphenyl)phosphane
CID 87247242
3-iodoprop-1-ene;zinc
CID 87332721
CID 88808793
CID 88808793
2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane
CID 68763773
sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium
CID 170161405
dilithium;hydride;prop-2-enylphosphane
CID 173308038
Potassium allyloxide
CID 87828396

Frequently Asked Questions

What is the IUPAC name of CID 122447936?
The IUPAC name of CID 122447936 (CID 122447936) is not available.
What is the SMILES notation for CID 122447936?
The canonical SMILES for CID 122447936 is C=CCPO[P+](=C)[O-].
What is the InChIKey of CID 122447936?
The InChIKey is CGACOCNUTIQSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2P2/c1-3-4-7-6-8(2)5/h3,7H,1-2,4H2.
What are the key properties of CID 122447936?
CID 122447936 has a molecular weight of 150.05 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122447936 is sourced from PubChem (CID 122447936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).