2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane

C18H28O2 — CID 71104329

IUPAC2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane
SMILESCCCC(C)Oc1c(C)cc(C2OCC2(C)C)cc1C
InChIInChI=1S/C18H28O2/c1-7-8-14(4)20-16-12(2)9-15(10-13(16)3)17-18(5,6)11-19-17/h9-10,14,17H,7-8,11H2,1-6H3
InChIKeyUDUYMRDVMLCOIC-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.97
Rot. Bonds5

About 2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane

2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane (PubChem CID 71104329) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane
PubChem CID71104329
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane
SMILESCCCC(C)Oc1c(C)cc(C2OCC2(C)C)cc1C
InChIInChI=1S/C18H28O2/c1-7-8-14(4)20-16-12(2)9-15(10-13(16)3)17-18(5,6)11-19-17/h9-10,14,17H,7-8,11H2,1-6H3
InChIKeyUDUYMRDVMLCOIC-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane?
The IUPAC name of 2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane (CID 71104329) is 2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane.
What is the SMILES notation for 2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane?
The canonical SMILES for 2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane is CCCC(C)Oc1c(C)cc(C2OCC2(C)C)cc1C.
What is the InChIKey of 2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane?
The InChIKey is UDUYMRDVMLCOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-7-8-14(4)20-16-12(2)9-15(10-13(16)3)17-18(5,6)11-19-17/h9-10,14,17H,7-8,11H2,1-6H3.
What are the key properties of 2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane?
2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane has a molecular weight of 276.42 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-pentan-2-yloxyphenyl)-3,3-dimethyloxetane is sourced from PubChem (CID 71104329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).