2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane

C11H20O2 — CID 88985955

IUPAC2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane
SMILESCC(CCC1(C)OC1C)C1(C)CO1
InChIInChI=1S/C11H20O2/c1-8(11(4)7-12-11)5-6-10(3)9(2)13-10/h8-9H,5-7H2,1-4H3
InChIKeyDWVFKZHTSHBQJI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.37
Rot. Bonds4

About 2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane

2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane (PubChem CID 88985955) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane.

Molecular Properties

Compound Name2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane
PubChem CID88985955
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane
SMILESCC(CCC1(C)OC1C)C1(C)CO1
InChIInChI=1S/C11H20O2/c1-8(11(4)7-12-11)5-6-10(3)9(2)13-10/h8-9H,5-7H2,1-4H3
InChIKeyDWVFKZHTSHBQJI-UHFFFAOYSA-N
XLogP2.37
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R,3S,5S,8S,10S,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane
CID 44566709
(2R,3R)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]ethyl]-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxirane
CID 100923630
(1R,3S,5R,8S,10S,13R)-1,6,6,10-tetramethyl-4,9,14-trioxatetracyclo[11.1.0.03,5.08,10]tetradecane
CID 163190209
Hexaepoxysqualene
CID 165790
(4R,5S)-3-((2R,3S,4S)-2-ethyl-5-((2R,3R)-2-ethyl-3-(2-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)ethyl)oxiran-2-yl)-3-hydroxy-4-methylpentanoyl)-4-methyl-5-phenyloxazolidin-2-one
CID 172640700
Diglycidylather
CID 129634599
1,6-Dimethyl-5,10-dioxatricyclo[7.1.0.04,6]decane
CID 20482972
1,9-Dimethyl-5,10-dioxatricyclo[7.1.0.04,6]decane
CID 21540780
(3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane
CID 135010286
3-[(1R,3R)-3-(methoxymethyl)-2,2-dimethylcyclopropyl]-2,2-dimethyloxirane
CID 135036823
(1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane
CID 139092132
1,4-Dimethyl-5,10-dioxatricyclo(7.1.0.04,6)decane
CID 44150519

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane?
The IUPAC name of 2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane (CID 88985955) is 2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane.
What is the SMILES notation for 2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane?
The canonical SMILES for 2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane is CC(CCC1(C)OC1C)C1(C)CO1.
What is the InChIKey of 2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane?
The InChIKey is DWVFKZHTSHBQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(11(4)7-12-11)5-6-10(3)9(2)13-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane?
2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane is sourced from PubChem (CID 88985955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).