2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine

C20H33NO3 — CID 166924695

IUPAC2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine
SMILESCCCCOCCOc1ccc(N2CC(C)(C)C(C)(C)O2)c(C)c1
InChIInChI=1S/C20H33NO3/c1-7-8-11-22-12-13-23-17-9-10-18(16(2)14-17)21-15-19(3,4)20(5,6)24-21/h9-10,14H,7-8,11-13,15H2,1-6H3
InChIKeyYDPLTEUWLMDUJG-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.75
Rot. Bonds8

About 2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine

2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine (PubChem CID 166924695) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine.

Molecular Properties

Compound Name2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine
PubChem CID166924695
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine
SMILESCCCCOCCOc1ccc(N2CC(C)(C)C(C)(C)O2)c(C)c1
InChIInChI=1S/C20H33NO3/c1-7-8-11-22-12-13-23-17-9-10-18(16(2)14-17)21-15-19(3,4)20(5,6)24-21/h9-10,14H,7-8,11-13,15H2,1-6H3
InChIKeyYDPLTEUWLMDUJG-UHFFFAOYSA-N
XLogP4.75
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
CID 129113813
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-butyl-2-methyl-4-(2-propoxyethoxy)benzene
CID 123147082
1-(4-butoxy-2-methylphenyl)-1,4-diazepane
CID 83134110
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
4-butoxy-2,6-dimethylbenzenethiol
CID 91655340
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
CID 166924586
2-methyl-4-nonoxyaniline
CID 43128997

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine?
The IUPAC name of 2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine (CID 166924695) is 2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine.
What is the SMILES notation for 2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine?
The canonical SMILES for 2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine is CCCCOCCOc1ccc(N2CC(C)(C)C(C)(C)O2)c(C)c1.
What is the InChIKey of 2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine?
The InChIKey is YDPLTEUWLMDUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c1-7-8-11-22-12-13-23-17-9-10-18(16(2)14-17)21-15-19(3,4)20(5,6)24-21/h9-10,14H,7-8,11-13,15H2,1-6H3.
What are the key properties of 2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine?
2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine has a molecular weight of 335.49 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine is sourced from PubChem (CID 166924695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).