3-(2-methylbutyl)-2,2-diphenyloxirane

C19H22O — CID 134204975

IUPAC3-(2-methylbutyl)-2,2-diphenyloxirane
SMILESCCC(C)CC1OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O/c1-3-15(2)14-18-19(20-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3
InChIKeyUHCRBBWXGABWMR-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.77
Rot. Bonds5

About 3-(2-methylbutyl)-2,2-diphenyloxirane

3-(2-methylbutyl)-2,2-diphenyloxirane (PubChem CID 134204975) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(2-methylbutyl)-2,2-diphenyloxirane.

Molecular Properties

Compound Name3-(2-methylbutyl)-2,2-diphenyloxirane
PubChem CID134204975
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name3-(2-methylbutyl)-2,2-diphenyloxirane
SMILESCCC(C)CC1OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O/c1-3-15(2)14-18-19(20-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3
InChIKeyUHCRBBWXGABWMR-UHFFFAOYSA-N
XLogP4.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.77
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 3-(2-methylbutyl)-2,2-diphenyloxirane?
The IUPAC name of 3-(2-methylbutyl)-2,2-diphenyloxirane (CID 134204975) is 3-(2-methylbutyl)-2,2-diphenyloxirane.
What is the SMILES notation for 3-(2-methylbutyl)-2,2-diphenyloxirane?
The canonical SMILES for 3-(2-methylbutyl)-2,2-diphenyloxirane is CCC(C)CC1OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-methylbutyl)-2,2-diphenyloxirane?
The InChIKey is UHCRBBWXGABWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-3-15(2)14-18-19(20-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3.
What are the key properties of 3-(2-methylbutyl)-2,2-diphenyloxirane?
3-(2-methylbutyl)-2,2-diphenyloxirane has a molecular weight of 266.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutyl)-2,2-diphenyloxirane is sourced from PubChem (CID 134204975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).