2-methoxy-3,3,5-trimethyloxaphosphole

C7H13O2P — CID 23264421

IUPAC2-methoxy-3,3,5-trimethyloxaphosphole
SMILESCOP1OC(C)=CC1(C)C
InChIInChI=1S/C7H13O2P/c1-6-5-7(2,3)10(8-4)9-6/h5H,1-4H3
InChIKeyKDQQSVYSRHTNPU-UHFFFAOYSA-N
MW160.15 g/mol
LogP2.66
Rot. Bonds1

About 2-methoxy-3,3,5-trimethyloxaphosphole

2-methoxy-3,3,5-trimethyloxaphosphole (PubChem CID 23264421) has the molecular formula C7H13O2P and a molecular weight of 160.15 g/mol. Its IUPAC name is 2-methoxy-3,3,5-trimethyloxaphosphole.

Molecular Properties

Compound Name2-methoxy-3,3,5-trimethyloxaphosphole
PubChem CID23264421
Molecular FormulaC7H13O2P
Molecular Weight160.15 g/mol
Exact Mass160.07
IUPAC Name2-methoxy-3,3,5-trimethyloxaphosphole
SMILESCOP1OC(C)=CC1(C)C
InChIInChI=1S/C7H13O2P/c1-6-5-7(2,3)10(8-4)9-6/h5H,1-4H3
InChIKeyKDQQSVYSRHTNPU-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 52.66
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-methoxy-3,3,5-trimethyloxaphosphole?
The IUPAC name of 2-methoxy-3,3,5-trimethyloxaphosphole (CID 23264421) is 2-methoxy-3,3,5-trimethyloxaphosphole.
What is the SMILES notation for 2-methoxy-3,3,5-trimethyloxaphosphole?
The canonical SMILES for 2-methoxy-3,3,5-trimethyloxaphosphole is COP1OC(C)=CC1(C)C.
What is the InChIKey of 2-methoxy-3,3,5-trimethyloxaphosphole?
The InChIKey is KDQQSVYSRHTNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2P/c1-6-5-7(2,3)10(8-4)9-6/h5H,1-4H3.
What are the key properties of 2-methoxy-3,3,5-trimethyloxaphosphole?
2-methoxy-3,3,5-trimethyloxaphosphole has a molecular weight of 160.15 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3,5-trimethyloxaphosphole is sourced from PubChem (CID 23264421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).