2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine

C21H33NO4 — CID 166924586

IUPAC2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
SMILESCCCCOCCOc1ccc(N2OC(C)(C)C(C)(C)O2)cc1C1CC1
InChIInChI=1S/C21H33NO4/c1-6-7-12-23-13-14-24-19-11-10-17(15-18(19)16-8-9-16)22-25-20(2,3)21(4,5)26-22/h10-11,15-16H,6-9,12-14H2,1-5H3
InChIKeyNKNQZKAEUPQNOO-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.00
Rot. Bonds9

About 2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine

2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine (PubChem CID 166924586) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine.

Molecular Properties

Compound Name2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
PubChem CID166924586
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Name2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
SMILESCCCCOCCOc1ccc(N2OC(C)(C)C(C)(C)O2)cc1C1CC1
InChIInChI=1S/C21H33NO4/c1-6-7-12-23-13-14-24-19-11-10-17(15-18(19)16-8-9-16)22-25-20(2,3)21(4,5)26-22/h10-11,15-16H,6-9,12-14H2,1-5H3
InChIKeyNKNQZKAEUPQNOO-UHFFFAOYSA-N
XLogP5.00
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-2-cyclopentyl-4-ethenylbenzene
CID 89054321
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
2-[4-(2-butoxyethoxy)-2-methylphenyl]-4,4,5,5-tetramethyl-1,2-oxazolidine
CID 166924695
N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine
CID 61482948
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
1-butoxy-4-(4-cyclopentylcyclohexyl)-2,3-difluorobenzene
CID 118119063
4-butoxy-5-cyclopropyl-2-fluorobenzoic acid
CID 86703758
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
2-[2-(2-butoxyethoxy)ethoxy]-5-nitroaniline
CID 70583822
4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 55182395

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine?
The IUPAC name of 2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine (CID 166924586) is 2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine.
What is the SMILES notation for 2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine?
The canonical SMILES for 2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine is CCCCOCCOc1ccc(N2OC(C)(C)C(C)(C)O2)cc1C1CC1.
What is the InChIKey of 2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine?
The InChIKey is NKNQZKAEUPQNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO4/c1-6-7-12-23-13-14-24-19-11-10-17(15-18(19)16-8-9-16)22-25-20(2,3)21(4,5)26-22/h10-11,15-16H,6-9,12-14H2,1-5H3.
What are the key properties of 2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine?
2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine has a molecular weight of 363.50 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butoxyethoxy)-3-cyclopropylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxazolidine is sourced from PubChem (CID 166924586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).