1-methoxy-3-methyl-1λ5-phospholane 1-oxide

C6H13O2P — CID 15682939

IUPAC1-methoxy-3-methyl-1λ5-phospholane 1-oxide
SMILESCOP1(=O)CCC(C)C1
InChIInChI=1S/C6H13O2P/c1-6-3-4-9(7,5-6)8-2/h6H,3-5H2,1-2H3
InChIKeyIYFRSOBKQNJQJF-UHFFFAOYSA-N
MW148.14 g/mol
LogP1.95
Rot. Bonds1

About 1-methoxy-3-methyl-1λ5-phospholane 1-oxide

1-methoxy-3-methyl-1λ5-phospholane 1-oxide (PubChem CID 15682939) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is 1-methoxy-3-methyl-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name1-methoxy-3-methyl-1λ5-phospholane 1-oxide
PubChem CID15682939
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Name1-methoxy-3-methyl-1λ5-phospholane 1-oxide
SMILESCOP1(=O)CCC(C)C1
InChIInChI=1S/C6H13O2P/c1-6-3-4-9(7,5-6)8-2/h6H,3-5H2,1-2H3
InChIKeyIYFRSOBKQNJQJF-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-1-methoxy-1λ5-phosphinane 1-oxide
CID 88889648
1-methoxy-4-methyl-1-methylidene-1λ5-phosphinane
CID 88542548
5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide
CID 88889664
6-ethynyl-2-methoxy-5-methyl-1,2λ5-oxaphosphinane 2-oxide
CID 88889891
methylcyclohexane;phosphane;pentahydrochloride
CID 174057866
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
cyclooctane;methylcyclobutane
CID 159456217
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
cyclobutane;ethane;methylcyclopropane
CID 143875535
CID 134904999
CID 134904999

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-1λ5-phospholane 1-oxide?
The IUPAC name of 1-methoxy-3-methyl-1λ5-phospholane 1-oxide (CID 15682939) is 1-methoxy-3-methyl-1λ5-phospholane 1-oxide.
What is the SMILES notation for 1-methoxy-3-methyl-1λ5-phospholane 1-oxide?
The canonical SMILES for 1-methoxy-3-methyl-1λ5-phospholane 1-oxide is COP1(=O)CCC(C)C1.
What is the InChIKey of 1-methoxy-3-methyl-1λ5-phospholane 1-oxide?
The InChIKey is IYFRSOBKQNJQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2P/c1-6-3-4-9(7,5-6)8-2/h6H,3-5H2,1-2H3.
What are the key properties of 1-methoxy-3-methyl-1λ5-phospholane 1-oxide?
1-methoxy-3-methyl-1λ5-phospholane 1-oxide has a molecular weight of 148.14 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-1λ5-phospholane 1-oxide is sourced from PubChem (CID 15682939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).