2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide

C8H13O3P — CID 11041490

IUPAC2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide
SMILESCOP1(=O)OC(C)=CC1=C(C)C
InChIInChI=1S/C8H13O3P/c1-6(2)8-5-7(3)11-12(8,9)10-4/h5H,1-4H3
InChIKeyYAYZOEYZVRKQOZ-UHFFFAOYSA-N
MW188.16 g/mol
LogP3.05
Rot. Bonds1

About 2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide

2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide (PubChem CID 11041490) has the molecular formula C8H13O3P and a molecular weight of 188.16 g/mol. Its IUPAC name is 2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide.

Molecular Properties

Compound Name2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide
PubChem CID11041490
Molecular FormulaC8H13O3P
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide
SMILESCOP1(=O)OC(C)=CC1=C(C)C
InChIInChI=1S/C8H13O3P/c1-6(2)8-5-7(3)11-12(8,9)10-4/h5H,1-4H3
InChIKeyYAYZOEYZVRKQOZ-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 53.05
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

2,2-Dimethoxy-2,5-dimethyl-3-methylidene-1,2lambda5-oxaphosphole
CID 23417138
dimethyl [(2Z)-5-methylhexa-2,4-dien-2-yl] phosphate
CID 11138631

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide?
The IUPAC name of 2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide (CID 11041490) is 2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide.
What is the SMILES notation for 2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide?
The canonical SMILES for 2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide is COP1(=O)OC(C)=CC1=C(C)C.
What is the InChIKey of 2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide?
The InChIKey is YAYZOEYZVRKQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O3P/c1-6(2)8-5-7(3)11-12(8,9)10-4/h5H,1-4H3.
What are the key properties of 2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide?
2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide has a molecular weight of 188.16 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-3-propan-2-ylidene-1,2λ5-oxaphosphole 2-oxide is sourced from PubChem (CID 11041490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).