2-dichlorophosphoryloxycyclohexa-1,3-diene

C6H7Cl2O2P — CID 145074491

IUPAC2-dichlorophosphoryloxycyclohexa-1,3-diene
SMILESO=P(Cl)(Cl)OC1=CCCC=C1
InChIInChI=1S/C6H7Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChIKeyCRHKPWTUJZASGK-UHFFFAOYSA-N
MW213.00 g/mol
LogP3.82
Rot. Bonds2

About 2-dichlorophosphoryloxycyclohexa-1,3-diene

2-dichlorophosphoryloxycyclohexa-1,3-diene (PubChem CID 145074491) has the molecular formula C6H7Cl2O2P and a molecular weight of 213.00 g/mol. Its IUPAC name is 2-dichlorophosphoryloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2-dichlorophosphoryloxycyclohexa-1,3-diene
PubChem CID145074491
Molecular FormulaC6H7Cl2O2P
Molecular Weight213.00 g/mol
Exact Mass211.96
IUPAC Name2-dichlorophosphoryloxycyclohexa-1,3-diene
SMILESO=P(Cl)(Cl)OC1=CCCC=C1
InChIInChI=1S/C6H7Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChIKeyCRHKPWTUJZASGK-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.00
LogP ≤ 53.82
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

1-Phosphorosooxycyclohexa-1,3-diene
CID 21306147
5-Dichlorophosphoryloxycyclohexa-1,3-diene
CID 87171661
2-Phosphorosooxycyclohexa-1,3-diene
CID 154549394
Dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane
CID 155716927
Cyclohexa-1,5-dien-1-yl dihydrogen phosphite
CID 175355044

Frequently Asked Questions

What is the IUPAC name of 2-dichlorophosphoryloxycyclohexa-1,3-diene?
The IUPAC name of 2-dichlorophosphoryloxycyclohexa-1,3-diene (CID 145074491) is 2-dichlorophosphoryloxycyclohexa-1,3-diene.
What is the SMILES notation for 2-dichlorophosphoryloxycyclohexa-1,3-diene?
The canonical SMILES for 2-dichlorophosphoryloxycyclohexa-1,3-diene is O=P(Cl)(Cl)OC1=CCCC=C1.
What is the InChIKey of 2-dichlorophosphoryloxycyclohexa-1,3-diene?
The InChIKey is CRHKPWTUJZASGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h2,4-5H,1,3H2.
What are the key properties of 2-dichlorophosphoryloxycyclohexa-1,3-diene?
2-dichlorophosphoryloxycyclohexa-1,3-diene has a molecular weight of 213.00 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dichlorophosphoryloxycyclohexa-1,3-diene is sourced from PubChem (CID 145074491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).