3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane

C22H36O2 — CID 126552323

IUPAC3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane
SMILESCCC(C)Cc1ccc(COC(C)(CC)CC2(CC)COC2)cc1
InChIInChI=1S/C22H36O2/c1-6-18(4)13-19-9-11-20(12-10-19)14-24-21(5,7-2)15-22(8-3)16-23-17-22/h9-12,18H,6-8,13-17H2,1-5H3
InChIKeyCVDDKBCTBWHOGN-UHFFFAOYSA-N
MW332.53 g/mol
LogP5.78
Rot. Bonds10

About 3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane

3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane (PubChem CID 126552323) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is 3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane
PubChem CID126552323
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane
SMILESCCC(C)Cc1ccc(COC(C)(CC)CC2(CC)COC2)cc1
InChIInChI=1S/C22H36O2/c1-6-18(4)13-19-9-11-20(12-10-19)14-24-21(5,7-2)15-22(8-3)16-23-17-22/h9-12,18H,6-8,13-17H2,1-5H3
InChIKeyCVDDKBCTBWHOGN-UHFFFAOYSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane?
The IUPAC name of 3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane (CID 126552323) is 3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane?
The canonical SMILES for 3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane is CCC(C)Cc1ccc(COC(C)(CC)CC2(CC)COC2)cc1.
What is the InChIKey of 3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane?
The InChIKey is CVDDKBCTBWHOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2/c1-6-18(4)13-19-9-11-20(12-10-19)14-24-21(5,7-2)15-22(8-3)16-23-17-22/h9-12,18H,6-8,13-17H2,1-5H3.
What are the key properties of 3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane?
3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane has a molecular weight of 332.53 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane is sourced from PubChem (CID 126552323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).