2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide

C7H13O3P — CID 20339

IUPAC2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide
SMILESCOP1(=O)OC(C)=CC1(C)C
InChIInChI=1S/C7H13O3P/c1-6-5-7(2,3)11(8,9-4)10-6/h5H,1-4H3
InChIKeyKCKJPIBIGFUZAS-UHFFFAOYSA-N
MW176.15 g/mol
LogP2.54
Rot. Bonds1

About 2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide

2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide (PubChem CID 20339) has the molecular formula C7H13O3P and a molecular weight of 176.15 g/mol. Its IUPAC name is 2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide.

Molecular Properties

Compound Name2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide
PubChem CID20339
Molecular FormulaC7H13O3P
Molecular Weight176.15 g/mol
Exact Mass176.06
IUPAC Name2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide
SMILESCOP1(=O)OC(C)=CC1(C)C
InChIInChI=1S/C7H13O3P/c1-6-5-7(2,3)11(8,9-4)10-6/h5H,1-4H3
InChIKeyKCKJPIBIGFUZAS-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 52.54
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

1,2-Oxaphosphole, 2-chloro-2,3-dihydro-3,3,5-trimethyl-, 2-oxide
CID 294579
1,2-Oxaphosphole, 2-ethyl-2,3-dihydro-3,3,5-trimethyl-, 2-oxide
CID 190229
2,3,3,5-Tetramethyl-3H-[1,2]oxaphosphole 2-oxide
CID 12935775
2-Oxo-3,3,5-trimethyl-1,2-oxaphosphacyclopentene-4
CID 129878368
2-Ethoxy-2,3-dihydro-3,3,5-trimethyl-1,2-oxaphosphole 2-oxide
CID 44154617
1,2-Oxaphosphole, 2-ethoxy-2,3-dihydro-3,3,5-trimethyl-
CID 2784496
Kdqqsvysrhtnpu-uhfffaoysa-
CID 23264421
Mdvzwprrpolqaw-oukqbfozsa-
CID 23269857
3,3,5-Trimethyl-2-propoxy-2,3-dihydro-1,2-oxaphosphole
CID 71389049
Hex-3-en-3-yloxy-hydroxy-oxophosphanium
CID 87262138
5-ethyl-2-methoxy-3H-1,2lambda5-oxaphosphole 2-oxide
CID 89442307
(E)-3-dimethoxyphosphorylpent-2-ene
CID 21765966

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide?
The IUPAC name of 2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide (CID 20339) is 2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide.
What is the SMILES notation for 2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide?
The canonical SMILES for 2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide is COP1(=O)OC(C)=CC1(C)C.
What is the InChIKey of 2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide?
The InChIKey is KCKJPIBIGFUZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O3P/c1-6-5-7(2,3)11(8,9-4)10-6/h5H,1-4H3.
What are the key properties of 2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide?
2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide has a molecular weight of 176.15 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3,5-trimethyl-1,2lambda5-oxaphosphole 2-oxide is sourced from PubChem (CID 20339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).