5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine

C22H33NO3 — CID 165380062

IUPAC5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine
SMILESCC(C)OCCC#Cc1ccc(CCOC2CC(OC(C)(C)C)C2)cn1
InChIInChI=1S/C22H33NO3/c1-17(2)24-12-7-6-8-19-10-9-18(16-23-19)11-13-25-20-14-21(15-20)26-22(3,4)5/h9-10,16-17,20-21H,7,11-15H2,1-5H3
InChIKeyZJFZFKRFIOEENZ-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.15
Rot. Bonds8

About 5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine

5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine (PubChem CID 165380062) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is 5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine.

Molecular Properties

Compound Name5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine
PubChem CID165380062
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine
SMILESCC(C)OCCC#Cc1ccc(CCOC2CC(OC(C)(C)C)C2)cn1
InChIInChI=1S/C22H33NO3/c1-17(2)24-12-7-6-8-19-10-9-18(16-23-19)11-13-25-20-14-21(15-20)26-22(3,4)5/h9-10,16-17,20-21H,7,11-15H2,1-5H3
InChIKeyZJFZFKRFIOEENZ-UHFFFAOYSA-N
XLogP4.15
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine with MolForge

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Related Compounds

2-[4-(4-tert-butylcyclohexyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
CID 153484488
2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
CID 134488920
N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybut-1-ynyl]pyridine;1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]benzene;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]pyridine
CID 158598467
2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
CID 134488912
5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine
CID 138657106
2-[5-(2,2-dimethylpropoxy)-3,4,4-trimethylpent-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
CID 146180102
1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine
CID 156719607
2-hex-1-ynyl-5-[(6-hex-1-ynyl-3-pyridinyl)methyl]pyridine
CID 159060805
5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine
CID 134579235
6-(4-aminooxybut-1-ynyl)pyridin-3-ol
CID 170739300
1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]ethoxy]propyl]piperidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine
CID 167558982
[3-[[6-(5-methoxypent-1-ynyl)-3-pyridinyl]oxy]cyclobutyl]oxy-dimethyl-λ3-iodane
CID 163764565

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine?
The IUPAC name of 5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine (CID 165380062) is 5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine.
What is the SMILES notation for 5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine?
The canonical SMILES for 5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine is CC(C)OCCC#Cc1ccc(CCOC2CC(OC(C)(C)C)C2)cn1.
What is the InChIKey of 5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine?
The InChIKey is ZJFZFKRFIOEENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3/c1-17(2)24-12-7-6-8-19-10-9-18(16-23-19)11-13-25-20-14-21(15-20)26-22(3,4)5/h9-10,16-17,20-21H,7,11-15H2,1-5H3.
What are the key properties of 5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine?
5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine has a molecular weight of 359.51 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine is sourced from PubChem (CID 165380062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).