2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide

C7H13O2P — CID 12935775

IUPAC2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide
SMILESCC1=CC(C)(C)P(C)(=O)O1
InChIInChI=1S/C7H13O2P/c1-6-5-7(2,3)10(4,8)9-6/h5H,1-4H3
InChIKeyWTKOBCAULQNIOX-UHFFFAOYSA-N
MW160.15 g/mol
LogP2.61
Rot. Bonds

About 2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide

2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide (PubChem CID 12935775) has the molecular formula C7H13O2P and a molecular weight of 160.15 g/mol. Its IUPAC name is 2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide.

Molecular Properties

Compound Name2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide
PubChem CID12935775
Molecular FormulaC7H13O2P
Molecular Weight160.15 g/mol
Exact Mass160.07
IUPAC Name2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide
SMILESCC1=CC(C)(C)P(C)(=O)O1
InChIInChI=1S/C7H13O2P/c1-6-5-7(2,3)10(4,8)9-6/h5H,1-4H3
InChIKeyWTKOBCAULQNIOX-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide?
The IUPAC name of 2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide (CID 12935775) is 2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide.
What is the SMILES notation for 2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide?
The canonical SMILES for 2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide is CC1=CC(C)(C)P(C)(=O)O1.
What is the InChIKey of 2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide?
The InChIKey is WTKOBCAULQNIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2P/c1-6-5-7(2,3)10(4,8)9-6/h5H,1-4H3.
What are the key properties of 2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide?
2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide has a molecular weight of 160.15 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5-tetramethyl-1,2lambda5-oxaphosphole 2-oxide is sourced from PubChem (CID 12935775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).