Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate

C8H14O3Se — CID 13496983

IUPACSe-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate
SMILESC[Se]C(=O)CCC1(C)OCCO1
InChIInChI=1S/C8H14O3Se/c1-8(10-5-6-11-8)4-3-7(9)12-2/h3-6H2,1-2H3
InChIKeyVVYLWCTYRIKYST-UHFFFAOYSA-N
MW237.16 g/mol
LogP0.81
Rot. Bonds4

About Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate

Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate (PubChem CID 13496983) has the molecular formula C8H14O3Se and a molecular weight of 237.16 g/mol. Its IUPAC name is Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate.

Molecular Properties

Compound NameSe-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate
PubChem CID13496983
Molecular FormulaC8H14O3Se
Molecular Weight237.16 g/mol
Exact Mass238.01
IUPAC NameSe-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate
SMILESC[Se]C(=O)CCC1(C)OCCO1
InChIInChI=1S/C8H14O3Se/c1-8(10-5-6-11-8)4-3-7(9)12-2/h3-6H2,1-2H3
InChIKeyVVYLWCTYRIKYST-UHFFFAOYSA-N
XLogP0.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane
CID 130120416
(4S,5S)-5-hydroxy-4,6-dimethyl-1-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one
CID 23583269
1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 46782226
(E)-imino-[1-methoxy-4-(2-methyl-1,3-dioxolan-2-yl)-1-oxobutan-2-ylidene]azanium
CID 20831968
methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate
CID 57358884
N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide
CID 20642171
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea
CID 110359336
(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol
CID 10559466
[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate
CID 154641855
(E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol
CID 23260524
5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one;2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)butanal
CID 161106627
2-methyl-2-propyl-1,3,6-trioxocane
CID 89306416

Frequently Asked Questions

What is the IUPAC name of Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate?
The IUPAC name of Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate (CID 13496983) is Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate.
What is the SMILES notation for Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate?
The canonical SMILES for Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate is C[Se]C(=O)CCC1(C)OCCO1.
What is the InChIKey of Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate?
The InChIKey is VVYLWCTYRIKYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3Se/c1-8(10-5-6-11-8)4-3-7(9)12-2/h3-6H2,1-2H3.
What are the key properties of Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate?
Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate has a molecular weight of 237.16 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate is sourced from PubChem (CID 13496983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).