2,3-bis(2,2-dimethylbutyl)-2-methyloxirane

C15H30O — CID 90226520

IUPAC2,3-bis(2,2-dimethylbutyl)-2-methyloxirane
SMILESCCC(C)(C)CC1OC1(C)CC(C)(C)CC
InChIInChI=1S/C15H30O/c1-8-13(3,4)10-12-15(7,16-12)11-14(5,6)9-2/h12H,8-11H2,1-7H3
InChIKeyVYBWEXYZSUBFEA-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.80
Rot. Bonds6

About 2,3-bis(2,2-dimethylbutyl)-2-methyloxirane

2,3-bis(2,2-dimethylbutyl)-2-methyloxirane (PubChem CID 90226520) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2,3-bis(2,2-dimethylbutyl)-2-methyloxirane.

Molecular Properties

Compound Name2,3-bis(2,2-dimethylbutyl)-2-methyloxirane
PubChem CID90226520
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2,3-bis(2,2-dimethylbutyl)-2-methyloxirane
SMILESCCC(C)(C)CC1OC1(C)CC(C)(C)CC
InChIInChI=1S/C15H30O/c1-8-13(3,4)10-12-15(7,16-12)11-14(5,6)9-2/h12H,8-11H2,1-7H3
InChIKeyVYBWEXYZSUBFEA-UHFFFAOYSA-N
XLogP4.80
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bis(2,2-dimethylbutyl)-2-methyloxirane?
The IUPAC name of 2,3-bis(2,2-dimethylbutyl)-2-methyloxirane (CID 90226520) is 2,3-bis(2,2-dimethylbutyl)-2-methyloxirane.
What is the SMILES notation for 2,3-bis(2,2-dimethylbutyl)-2-methyloxirane?
The canonical SMILES for 2,3-bis(2,2-dimethylbutyl)-2-methyloxirane is CCC(C)(C)CC1OC1(C)CC(C)(C)CC.
What is the InChIKey of 2,3-bis(2,2-dimethylbutyl)-2-methyloxirane?
The InChIKey is VYBWEXYZSUBFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-8-13(3,4)10-12-15(7,16-12)11-14(5,6)9-2/h12H,8-11H2,1-7H3.
What are the key properties of 2,3-bis(2,2-dimethylbutyl)-2-methyloxirane?
2,3-bis(2,2-dimethylbutyl)-2-methyloxirane has a molecular weight of 226.40 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,2-dimethylbutyl)-2-methyloxirane is sourced from PubChem (CID 90226520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).