(2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C5H11O3P — CID 23413412

IUPAC(2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC[C@H]1CCO[P@](C)(=O)O1
InChIInChI=1S/C5H11O3P/c1-5-3-4-7-9(2,6)8-5/h5H,3-4H2,1-2H3/t5-,9-/m0/s1
InChIKeyMVPIJCUBNCAXPD-CDUCUWFYSA-N
MW150.11 g/mol
LogP1.63
Rot. Bonds

About (2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

(2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 23413412) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is (2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name(2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID23413412
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name(2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC[C@H]1CCO[P@](C)(=O)O1
InChIInChI=1S/C5H11O3P/c1-5-3-4-7-9(2,6)8-5/h5H,3-4H2,1-2H3/t5-,9-/m0/s1
InChIKeyMVPIJCUBNCAXPD-CDUCUWFYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 51.63
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 (2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of (2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 23413412) is (2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for (2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for (2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is C[C@H]1CCO[P@](C)(=O)O1.
What is the InChIKey of (2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is MVPIJCUBNCAXPD-CDUCUWFYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-5-3-4-7-9(2,6)8-5/h5H,3-4H2,1-2H3/t5-,9-/m0/s1.
What are the key properties of (2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
(2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 150.11 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,4-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 23413412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).