2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane

C17H26O2 — CID 151210441

IUPAC2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane
SMILESCc1cc(C(C)C)c(OCC2OC2C)c(C(C)C)c1
InChIInChI=1S/C17H26O2/c1-10(2)14-7-12(5)8-15(11(3)4)17(14)18-9-16-13(6)19-16/h7-8,10-11,13,16H,9H2,1-6H3
InChIKeyNKDROKSVJNATBN-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.41
Rot. Bonds5

About 2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane

2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane (PubChem CID 151210441) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane
PubChem CID151210441
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane
SMILESCc1cc(C(C)C)c(OCC2OC2C)c(C(C)C)c1
InChIInChI=1S/C17H26O2/c1-10(2)14-7-12(5)8-15(11(3)4)17(14)18-9-16-13(6)19-16/h7-8,10-11,13,16H,9H2,1-6H3
InChIKeyNKDROKSVJNATBN-UHFFFAOYSA-N
XLogP4.41
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.41
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-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane?
The IUPAC name of 2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane (CID 151210441) is 2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane is Cc1cc(C(C)C)c(OCC2OC2C)c(C(C)C)c1.
What is the InChIKey of 2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane?
The InChIKey is NKDROKSVJNATBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-10(2)14-7-12(5)8-15(11(3)4)17(14)18-9-16-13(6)19-16/h7-8,10-11,13,16H,9H2,1-6H3.
What are the key properties of 2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane?
2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane has a molecular weight of 262.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane is sourced from PubChem (CID 151210441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).