(5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide

C7H11O3P — CID 88889649

IUPAC(5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide
SMILESC#C[C@H]1CCP(=O)(OC)OC1
InChIInChI=1S/C7H11O3P/c1-3-7-4-5-11(8,9-2)10-6-7/h1,7H,4-6H2,2H3/t7-,11?/m0/s1
InChIKeyAROPWJQXWKFSIZ-RGENBBCFSA-N
MW174.14 g/mol
LogP1.50
Rot. Bonds1

About (5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide

(5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide (PubChem CID 88889649) has the molecular formula C7H11O3P and a molecular weight of 174.14 g/mol. Its IUPAC name is (5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide.

Molecular Properties

Compound Name(5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide
PubChem CID88889649
Molecular FormulaC7H11O3P
Molecular Weight174.14 g/mol
Exact Mass174.04
IUPAC Name(5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide
SMILESC#C[C@H]1CCP(=O)(OC)OC1
InChIInChI=1S/C7H11O3P/c1-3-7-4-5-11(8,9-2)10-6-7/h1,7H,4-6H2,2H3/t7-,11?/m0/s1
InChIKeyAROPWJQXWKFSIZ-RGENBBCFSA-N
XLogP1.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide?
The IUPAC name of (5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide (CID 88889649) is (5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide.
What is the SMILES notation for (5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide?
The canonical SMILES for (5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide is C#C[C@H]1CCP(=O)(OC)OC1.
What is the InChIKey of (5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide?
The InChIKey is AROPWJQXWKFSIZ-RGENBBCFSA-N. The full InChI is InChI=1S/C7H11O3P/c1-3-7-4-5-11(8,9-2)10-6-7/h1,7H,4-6H2,2H3/t7-,11?/m0/s1.
What are the key properties of (5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide?
(5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide has a molecular weight of 174.14 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethynyl-2-methoxy-1,2λ5-oxaphosphinane 2-oxide is sourced from PubChem (CID 88889649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).