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

C8H14O2 — CID 87908913

IUPAC2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane
SMILESCC1OC1CC1(C)OC1C
InChIInChI=1S/C8H14O2/c1-5-7(9-5)4-8(3)6(2)10-8/h5-7H,4H2,1-3H3
InChIKeyBOWMIMSGIGLEGB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.34
Rot. Bonds2

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

2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane (PubChem CID 87908913) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane.

Molecular Properties

Compound Name2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane
PubChem CID87908913
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane
SMILESCC1OC1CC1(C)OC1C
InChIInChI=1S/C8H14O2/c1-5-7(9-5)4-8(3)6(2)10-8/h5-7H,4H2,1-3H3
InChIKeyBOWMIMSGIGLEGB-UHFFFAOYSA-N
XLogP1.34
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.34
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-methyloxiran-2-yl)methyl]oxirane?
The IUPAC name of 2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane (CID 87908913) is 2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane.
What is the SMILES notation for 2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane?
The canonical SMILES for 2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane is CC1OC1CC1(C)OC1C.
What is the InChIKey of 2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane?
The InChIKey is BOWMIMSGIGLEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-7(9-5)4-8(3)6(2)10-8/h5-7H,4H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane?
2,3-dimethyl-2-[(3-methyloxiran-2-yl)methyl]oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.34, 2 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-methyloxiran-2-yl)methyl]oxirane is sourced from PubChem (CID 87908913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).