1-phosphorosooxycyclohexa-1,3-diene

C6H7O2P — CID 21306147

IUPAC1-phosphorosooxycyclohexa-1,3-diene
SMILESO=POC1=CC=CCC1
InChIInChI=1S/C6H7O2P/c7-9-8-6-4-2-1-3-5-6/h1-2,4H,3,5H2
InChIKeyQDOZTTFNARDDLZ-UHFFFAOYSA-N
MW142.09 g/mol
LogP2.44
Rot. Bonds2

About 1-phosphorosooxycyclohexa-1,3-diene

1-phosphorosooxycyclohexa-1,3-diene (PubChem CID 21306147) has the molecular formula C6H7O2P and a molecular weight of 142.09 g/mol. Its IUPAC name is 1-phosphorosooxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-phosphorosooxycyclohexa-1,3-diene
PubChem CID21306147
Molecular FormulaC6H7O2P
Molecular Weight142.09 g/mol
Exact Mass142.02
IUPAC Name1-phosphorosooxycyclohexa-1,3-diene
SMILESO=POC1=CC=CCC1
InChIInChI=1S/C6H7O2P/c7-9-8-6-4-2-1-3-5-6/h1-2,4H,3,5H2
InChIKeyQDOZTTFNARDDLZ-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

Cyclohexa-1,3-dien-1-yl dimethyl phosphate
CID 85577953
Cyclohexa-1,3-dien-1-yl dihydrogen phosphate
CID 89182221
2-Dichlorophosphoryloxycyclohexa-1,3-diene
CID 145074491
Cyclohexa-1,3-dien-1-yl phosphono hydrogen phosphate
CID 151971584
2-Phosphorosooxycyclohexa-1,3-diene
CID 154549394

Frequently Asked Questions

What is the IUPAC name of 1-phosphorosooxycyclohexa-1,3-diene?
The IUPAC name of 1-phosphorosooxycyclohexa-1,3-diene (CID 21306147) is 1-phosphorosooxycyclohexa-1,3-diene.
What is the SMILES notation for 1-phosphorosooxycyclohexa-1,3-diene?
The canonical SMILES for 1-phosphorosooxycyclohexa-1,3-diene is O=POC1=CC=CCC1.
What is the InChIKey of 1-phosphorosooxycyclohexa-1,3-diene?
The InChIKey is QDOZTTFNARDDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O2P/c7-9-8-6-4-2-1-3-5-6/h1-2,4H,3,5H2.
What are the key properties of 1-phosphorosooxycyclohexa-1,3-diene?
1-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 1-phosphorosooxycyclohexa-1,3-diene is sourced from PubChem (CID 21306147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).