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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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).