(2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide

C4H9O3P — CID 12754324

IUPAC(2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESC[C@H]1CCO[P@@H](=O)O1
InChIInChI=1S/C4H9O3P/c1-4-2-3-6-8(5)7-4/h4,8H,2-3H2,1H3/t4-/m0/s1
InChIKeyBRNIZUWNRYIOEU-BYPYZUCNSA-N
MW136.09 g/mol
LogP1.20
Rot. Bonds

About (2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide

(2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 12754324) has the molecular formula C4H9O3P and a molecular weight of 136.09 g/mol. Its IUPAC name is (2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name(2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID12754324
Molecular FormulaC4H9O3P
Molecular Weight136.09 g/mol
Exact Mass136.03
IUPAC Name(2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESC[C@H]1CCO[P@@H](=O)O1
InChIInChI=1S/C4H9O3P/c1-4-2-3-6-8(5)7-4/h4,8H,2-3H2,1H3/t4-/m0/s1
InChIKeyBRNIZUWNRYIOEU-BYPYZUCNSA-N
XLogP1.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of (2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 12754324) is (2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for (2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for (2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide is C[C@H]1CCO[P@@H](=O)O1.
What is the InChIKey of (2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is BRNIZUWNRYIOEU-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9O3P/c1-4-2-3-6-8(5)7-4/h4,8H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
(2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 136.09 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 12754324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).