4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide

C5H11O3PSe — CID 13204288

IUPAC4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESC[Se]P1(=O)OCCC(C)O1
InChIInChI=1S/C5H11O3PSe/c1-5-3-4-7-9(6,8-5)10-2/h5H,3-4H2,1-2H3
InChIKeyKNEWGKDMQLOIID-UHFFFAOYSA-N
MW229.07 g/mol
LogP1.67
Rot. Bonds1

About 4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide

4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 13204288) has the molecular formula C5H11O3PSe and a molecular weight of 229.07 g/mol. Its IUPAC name is 4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID13204288
Molecular FormulaC5H11O3PSe
Molecular Weight229.07 g/mol
Exact Mass229.96
IUPAC Name4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESC[Se]P1(=O)OCCC(C)O1
InChIInChI=1S/C5H11O3PSe/c1-5-3-4-7-9(6,8-5)10-2/h5H,3-4H2,1-2H3
InChIKeyKNEWGKDMQLOIID-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23419061
2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 58422993
(2S,4S)-4-methyl-2-(trifluoromethylsulfanyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23416371
[(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite
CID 12654512
(4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
CID 23416384
4-[(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]oxetan-2-one
CID 20501260
N-[(R)-(4-bromophenyl)-[(2S,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methyl]-3,5-dichloroaniline
CID 40640755
4-[2-(diethylamino)-4-methyl-1,3,2λ5-dioxaphosphinan-2-ylidene]butan-2-one
CID 23263743
(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl) acetate
CID 58529073
2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528587
4-[(R)-(4-methylanilino)-[(2S,4R)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methyl]phenol
CID 28887382
4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528626

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 13204288) is 4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide is C[Se]P1(=O)OCCC(C)O1.
What is the InChIKey of 4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is KNEWGKDMQLOIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3PSe/c1-5-3-4-7-9(6,8-5)10-2/h5H,3-4H2,1-2H3.
What are the key properties of 4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 229.07 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 13204288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).