2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide

C8H11O3P — CID 11367430

IUPAC2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide
SMILESO=P12OCCC=CC1=CCCO2
InChIInChI=1S/C8H11O3P/c9-12-8(5-3-7-11-12)4-1-2-6-10-12/h1,4-5H,2-3,6-7H2
InChIKeySJTLCDDSTZHLRH-UHFFFAOYSA-N
MW186.15 g/mol
LogP2.46
Rot. Bonds

About 2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide

2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide (PubChem CID 11367430) has the molecular formula C8H11O3P and a molecular weight of 186.15 g/mol. Its IUPAC name is 2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide.

Molecular Properties

Compound Name2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide
PubChem CID11367430
Molecular FormulaC8H11O3P
Molecular Weight186.15 g/mol
Exact Mass186.04
IUPAC Name2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide
SMILESO=P12OCCC=CC1=CCCO2
InChIInChI=1S/C8H11O3P/c9-12-8(5-3-7-11-12)4-1-2-6-10-12/h1,4-5H,2-3,6-7H2
InChIKeySJTLCDDSTZHLRH-UHFFFAOYSA-N
XLogP2.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,10-Dioxa-1lambda5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide
CID 15535667
Phosphoric acid diethyl ester hexa-3,5-dienyl ester
CID 156025269
7-Dimethoxyphosphorylcyclohepta-1,3,5-triene
CID 13683623
(3E)-6-dimethylphosphoryloxyhexa-1,3-diene
CID 20726635
[(3E)-hexa-3,5-dienyl] methyl phosphate
CID 20726644
[(3E)-hexa-3,5-dienoxy]-methylphosphinate
CID 20726646
1-Diethoxyphosphorylcyclopenta-1,3-diene
CID 89073470
5-Diethoxyphosphorylcyclopenta-1,3-diene
CID 89702958
(E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium
CID 175353079
2-But-3-enoxy-3-ethenyl-5,6-dihydro-1,2lambda5-oxaphosphinine 2-oxide
CID 11252864
(1E,3E)-1-diethoxyphosphorylhexa-1,3-diene
CID 13450210
2,12-Dioxa-1lambda5-phosphabicyclo[5.5.0]dodeca-5,7-diene 1-oxide
CID 15535669

Frequently Asked Questions

What is the IUPAC name of 2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide?
The IUPAC name of 2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide (CID 11367430) is 2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide.
What is the SMILES notation for 2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide?
The canonical SMILES for 2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide is O=P12OCCC=CC1=CCCO2.
What is the InChIKey of 2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide?
The InChIKey is SJTLCDDSTZHLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O3P/c9-12-8(5-3-7-11-12)4-1-2-6-10-12/h1,4-5H,2-3,6-7H2.
What are the key properties of 2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide?
2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide has a molecular weight of 186.15 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-dioxa-1λ5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide is sourced from PubChem (CID 11367430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).