2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane

C9H16O2Se — CID 134813926

IUPAC2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane
SMILESC=CC[Se]CC1COC(C)(C)O1
InChIInChI=1S/C9H16O2Se/c1-4-5-12-7-8-6-10-9(2,3)11-8/h4,8H,1,5-7H2,2-3H3
InChIKeyLYWOJWIWRJXXRC-UHFFFAOYSA-N
MW235.18 g/mol
LogP1.86
Rot. Bonds4

About 2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane

2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane (PubChem CID 134813926) has the molecular formula C9H16O2Se and a molecular weight of 235.18 g/mol. Its IUPAC name is 2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane
PubChem CID134813926
Molecular FormulaC9H16O2Se
Molecular Weight235.18 g/mol
Exact Mass236.03
IUPAC Name2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane
SMILESC=CC[Se]CC1COC(C)(C)O1
InChIInChI=1S/C9H16O2Se/c1-4-5-12-7-8-6-10-9(2,3)11-8/h4,8H,1,5-7H2,2-3H3
InChIKeyLYWOJWIWRJXXRC-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Allyloxy)methyl]-2,2-dimethyl-1,3-dioxolane
CID 2780154
(4S)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003814
1-[(2-Ethyl-2-methyl-1,3-dioxolan-4-yl)methoxy]prop-2-ene
CID 4623933
(4R)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003813
2,2,4-Trimethyl-4-[(prop-2-en-1-yl)oxy]-1,3-dioxolane
CID 14045243
2-Ethyl-2-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
CID 150039248
2,2-Diethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
CID 150159408
2,2-Dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
CID 150234068
2-Ethyl-2,4-dimethyl-4-prop-1-enoxy-1,3-dioxolane
CID 151741566
2-Ethyl-4-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene
CID 161175478
Ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene
CID 162203240
(2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 40527655

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane (CID 134813926) is 2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane is C=CC[Se]CC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane?
The InChIKey is LYWOJWIWRJXXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Se/c1-4-5-12-7-8-6-10-9(2,3)11-8/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane?
2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane has a molecular weight of 235.18 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(prop-2-enylselanylmethyl)-1,3-dioxolane is sourced from PubChem (CID 134813926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).