2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide

C6H11O3P — CID 12599936

IUPAC2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide
SMILESCOP1(=O)C=CC(C)(C)O1
InChIInChI=1S/C6H11O3P/c1-6(2)4-5-10(7,8-3)9-6/h4-5H,1-3H3
InChIKeyWCLCRIBZAAHEMD-UHFFFAOYSA-N
MW162.12 g/mol
LogP2.15
Rot. Bonds1

About 2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide

2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide (PubChem CID 12599936) has the molecular formula C6H11O3P and a molecular weight of 162.12 g/mol. Its IUPAC name is 2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide.

Molecular Properties

Compound Name2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide
PubChem CID12599936
Molecular FormulaC6H11O3P
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Name2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide
SMILESCOP1(=O)C=CC(C)(C)O1
InChIInChI=1S/C6H11O3P/c1-6(2)4-5-10(7,8-3)9-6/h4-5H,1-3H3
InChIKeyWCLCRIBZAAHEMD-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide?
The IUPAC name of 2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide (CID 12599936) is 2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide.
What is the SMILES notation for 2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide?
The canonical SMILES for 2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide is COP1(=O)C=CC(C)(C)O1.
What is the InChIKey of 2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide?
The InChIKey is WCLCRIBZAAHEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3P/c1-6(2)4-5-10(7,8-3)9-6/h4-5H,1-3H3.
What are the key properties of 2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide?
2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide has a molecular weight of 162.12 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide is sourced from PubChem (CID 12599936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).