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

C5H11O4P — CID 12583343

IUPAC(2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCO[P@@]1(=O)OCC[C@H](C)O1
InChIInChI=1S/C5H11O4P/c1-5-3-4-8-10(6,7-2)9-5/h5H,3-4H2,1-2H3/t5-,10-/m0/s1
InChIKeyJYAHVSACNISFOW-RRAGMBSWSA-N
MW166.11 g/mol
LogP1.57
Rot. Bonds1

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

(2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 12583343) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is (2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name(2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID12583343
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name(2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCO[P@@]1(=O)OCC[C@H](C)O1
InChIInChI=1S/C5H11O4P/c1-5-3-4-8-10(6,7-2)9-5/h5H,3-4H2,1-2H3/t5-,10-/m0/s1
InChIKeyJYAHVSACNISFOW-RRAGMBSWSA-N
XLogP1.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of (2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 12583343) is (2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for (2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for (2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is CO[P@@]1(=O)OCC[C@H](C)O1.
What is the InChIKey of (2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is JYAHVSACNISFOW-RRAGMBSWSA-N. The full InChI is InChI=1S/C5H11O4P/c1-5-3-4-8-10(6,7-2)9-5/h5H,3-4H2,1-2H3/t5-,10-/m0/s1.
What are the key properties of (2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
(2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 166.11 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methoxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 12583343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).