2-phosphorosooxycyclohexa-1,3-diene

C6H7O2P — CID 154549394

IUPAC2-phosphorosooxycyclohexa-1,3-diene
SMILESO=POC1=CCCC=C1
InChIInChI=1S/C6H7O2P/c7-9-8-6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChIKeyWZFAFDUQMUKKDF-UHFFFAOYSA-N
MW142.09 g/mol
LogP2.44
Rot. Bonds2

About 2-phosphorosooxycyclohexa-1,3-diene

2-phosphorosooxycyclohexa-1,3-diene (PubChem CID 154549394) has the molecular formula C6H7O2P and a molecular weight of 142.09 g/mol. Its IUPAC name is 2-phosphorosooxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2-phosphorosooxycyclohexa-1,3-diene
PubChem CID154549394
Molecular FormulaC6H7O2P
Molecular Weight142.09 g/mol
Exact Mass142.02
IUPAC Name2-phosphorosooxycyclohexa-1,3-diene
SMILESO=POC1=CCCC=C1
InChIInChI=1S/C6H7O2P/c7-9-8-6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChIKeyWZFAFDUQMUKKDF-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carbon monoxide;cyclohexa-1,5-dien-1-yl methyl phosphate;iron
CID 139240168
1,5-Cyclohexadien-1-yl dimethyl phosphate
CID 24976317
1-Phosphorosooxycyclohexa-1,3-diene
CID 21306147
Cyclohexa-1,3-dien-1-yl dihydrogen phosphate
CID 89182221
2-Dichlorophosphoryloxycyclohexa-1,3-diene
CID 145074491
Cyclohexa-1,5-dien-1-yl dihydrogen phosphite
CID 175355044
Cyclohexa-1,5-dien-1-yl methyl hydrogen phosphate
CID 139240169

Frequently Asked Questions

What is the IUPAC name of 2-phosphorosooxycyclohexa-1,3-diene?
The IUPAC name of 2-phosphorosooxycyclohexa-1,3-diene (CID 154549394) is 2-phosphorosooxycyclohexa-1,3-diene.
What is the SMILES notation for 2-phosphorosooxycyclohexa-1,3-diene?
The canonical SMILES for 2-phosphorosooxycyclohexa-1,3-diene is O=POC1=CCCC=C1.
What is the InChIKey of 2-phosphorosooxycyclohexa-1,3-diene?
The InChIKey is WZFAFDUQMUKKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O2P/c7-9-8-6-4-2-1-3-5-6/h2,4-5H,1,3H2.
What are the key properties of 2-phosphorosooxycyclohexa-1,3-diene?
2-phosphorosooxycyclohexa-1,3-diene has a molecular weight of 142.09 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphorosooxycyclohexa-1,3-diene is sourced from PubChem (CID 154549394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).