3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine

C17H29NO3 — CID 173395801

IUPAC3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine
SMILESCOC(C)(C)COCCCCCCCOc1cccnc1
InChIInChI=1S/C17H29NO3/c1-17(2,19-3)15-20-12-7-5-4-6-8-13-21-16-10-9-11-18-14-16/h9-11,14H,4-8,12-13,15H2,1-3H3
InChIKeyNWPZWCHXTLIWQV-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.85
Rot. Bonds12

About 3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine

3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine (PubChem CID 173395801) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine.

Molecular Properties

Compound Name3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine
PubChem CID173395801
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine
SMILESCOC(C)(C)COCCCCCCCOc1cccnc1
InChIInChI=1S/C17H29NO3/c1-17(2,19-3)15-20-12-7-5-4-6-8-13-21-16-10-9-11-18-14-16/h9-11,14H,4-8,12-13,15H2,1-3H3
InChIKeyNWPZWCHXTLIWQV-UHFFFAOYSA-N
XLogP3.85
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.85
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

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CID 112558625
N-ethyl-4-pyridin-3-yloxybutan-1-amine
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N-(1-amino-2-methylpropan-2-yl)-3-pyridin-3-yloxypropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine?
The IUPAC name of 3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine (CID 173395801) is 3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine.
What is the SMILES notation for 3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine?
The canonical SMILES for 3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine is COC(C)(C)COCCCCCCCOc1cccnc1.
What is the InChIKey of 3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine?
The InChIKey is NWPZWCHXTLIWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-17(2,19-3)15-20-12-7-5-4-6-8-13-21-16-10-9-11-18-14-16/h9-11,14H,4-8,12-13,15H2,1-3H3.
What are the key properties of 3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine?
3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine has a molecular weight of 295.42 g/mol, XLogP of 3.85, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine is sourced from PubChem (CID 173395801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).