3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine

C20H35NO3 — CID 146506619

IUPAC3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine
SMILESCC(C)(C)OCCC(C)(C)OCCCC(C)(C)Oc1cccnc1
InChIInChI=1S/C20H35NO3/c1-18(2,3)22-15-12-19(4,5)23-14-9-11-20(6,7)24-17-10-8-13-21-16-17/h8,10,13,16H,9,11-12,14-15H2,1-7H3
InChIKeyPGASCUDYTSDEJK-UHFFFAOYSA-N
MW337.50 g/mol
LogP5.02
Rot. Bonds10

About 3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine

3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine (PubChem CID 146506619) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine.

Molecular Properties

Compound Name3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine
PubChem CID146506619
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine
SMILESCC(C)(C)OCCC(C)(C)OCCCC(C)(C)Oc1cccnc1
InChIInChI=1S/C20H35NO3/c1-18(2,3)22-15-12-19(4,5)23-14-9-11-20(6,7)24-17-10-8-13-21-16-17/h8,10,13,16H,9,11-12,14-15H2,1-7H3
InChIKeyPGASCUDYTSDEJK-UHFFFAOYSA-N
XLogP5.02
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.50
LogP ≤ 55.02
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

3-(2,4,4-trimethylpentan-2-yloxy)pyridine
CID 145496558
3-(3-methoxy-3-methylbutoxy)pyridine
CID 103037636
3-(4,4,4-trifluorobutoxy)pyridine
CID 112558625
3-(2-bromopropan-2-yloxy)pyridine
CID 174735285
2-bromo-5-[4-[4-[(6-bromo-3-pyridinyl)oxy]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypyridine
CID 91088394
3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxybenzoic acid
CID 137444763
(3-methyl-3-phenoxybutyl) methanesulfonate
CID 59317059
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine
CID 173395801
N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
CID 155034107
pyridin-3-yl hypochlorite
CID 91164948
tert-butyl-dimethyl-(4-pyridin-3-yloxybutoxy)silane
CID 15887443

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine?
The IUPAC name of 3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine (CID 146506619) is 3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine.
What is the SMILES notation for 3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine?
The canonical SMILES for 3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine is CC(C)(C)OCCC(C)(C)OCCCC(C)(C)Oc1cccnc1.
What is the InChIKey of 3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine?
The InChIKey is PGASCUDYTSDEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-18(2,3)22-15-12-19(4,5)23-14-9-11-20(6,7)24-17-10-8-13-21-16-17/h8,10,13,16H,9,11-12,14-15H2,1-7H3.
What are the key properties of 3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine?
3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine has a molecular weight of 337.50 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine is sourced from PubChem (CID 146506619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).