2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine

C8H11O2P — CID 101135759

IUPAC2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine
SMILESC1=CC2=CCCOP2OCC1
InChIInChI=1S/C8H11O2P/c1-2-6-9-11-8(4-1)5-3-7-10-11/h1,4-5H,2-3,6-7H2
InChIKeyALEAKFBHIYJYGM-UHFFFAOYSA-N
MW170.15 g/mol
LogP2.58
Rot. Bonds

About 2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine

2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine (PubChem CID 101135759) has the molecular formula C8H11O2P and a molecular weight of 170.15 g/mol. Its IUPAC name is 2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine.

Molecular Properties

Compound Name2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine
PubChem CID101135759
Molecular FormulaC8H11O2P
Molecular Weight170.15 g/mol
Exact Mass170.05
IUPAC Name2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine
SMILESC1=CC2=CCCOP2OCC1
InChIInChI=1S/C8H11O2P/c1-2-6-9-11-8(4-1)5-3-7-10-11/h1,4-5H,2-3,6-7H2
InChIKeyALEAKFBHIYJYGM-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 52.58
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

(3E)-6-dimethylphosphoryloxyhexa-1,3-diene
CID 20726635
(Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium
CID 175112757
(E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium
CID 175113362
(E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium
CID 175113731
(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
2,11-Dioxa-1lambda5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide
CID 11367430
2,12-Dioxa-1lambda5-phosphabicyclo[5.5.0]dodeca-5,7-diene 1-oxide
CID 15535669
2-But-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine
CID 101135758

Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine?
The IUPAC name of 2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine (CID 101135759) is 2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine.
What is the SMILES notation for 2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine?
The canonical SMILES for 2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine is C1=CC2=CCCOP2OCC1.
What is the InChIKey of 2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine?
The InChIKey is ALEAKFBHIYJYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2P/c1-2-6-9-11-8(4-1)5-3-7-10-11/h1,4-5H,2-3,6-7H2.
What are the key properties of 2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine?
2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine has a molecular weight of 170.15 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetrahydrooxaphosphinino[2,3-b]oxaphosphepine is sourced from PubChem (CID 101135759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).