2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane

C13H24O2 — CID 57119050

IUPAC2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane
SMILESCCCC1(C)OC1CCCC1OC1(C)C
InChIInChI=1S/C13H24O2/c1-5-9-13(4)11(15-13)8-6-7-10-12(2,3)14-10/h10-11H,5-9H2,1-4H3
InChIKeyGEFKNWOCWBRYGV-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.29
Rot. Bonds6

About 2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane

2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane (PubChem CID 57119050) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane
PubChem CID57119050
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane
SMILESCCCC1(C)OC1CCCC1OC1(C)C
InChIInChI=1S/C13H24O2/c1-5-9-13(4)11(15-13)8-6-7-10-12(2,3)14-10/h10-11H,5-9H2,1-4H3
InChIKeyGEFKNWOCWBRYGV-UHFFFAOYSA-N
XLogP3.29
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.29
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 2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane?
The IUPAC name of 2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane (CID 57119050) is 2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane.
What is the SMILES notation for 2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane?
The canonical SMILES for 2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane is CCCC1(C)OC1CCCC1OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane?
The InChIKey is GEFKNWOCWBRYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-9-13(4)11(15-13)8-6-7-10-12(2,3)14-10/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane?
2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane has a molecular weight of 212.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane is sourced from PubChem (CID 57119050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).