3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde

C14H19NO2 — CID 107007333

IUPAC3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde
SMILESC=CCCCCCOc1ccc(C)nc1C=O
InChIInChI=1S/C14H19NO2/c1-3-4-5-6-7-10-17-14-9-8-12(2)15-13(14)11-16/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyIBWYNIBFUUSKLK-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.33
Rot. Bonds8

About 3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde

3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde (PubChem CID 107007333) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde
PubChem CID107007333
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde
SMILESC=CCCCCCOc1ccc(C)nc1C=O
InChIInChI=1S/C14H19NO2/c1-3-4-5-6-7-10-17-14-9-8-12(2)15-13(14)11-16/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyIBWYNIBFUUSKLK-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-formyl-6-methyl-3-pyridinyl)oxy]pentanenitrile
CID 79158850
3-hept-6-enoxy-4-methoxybenzaldehyde
CID 107007313
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde
CID 79035489
3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde
CID 115871044
3-(6-methyl-3-pentoxy-2-pyridinyl)prop-2-enoic acid
CID 79169473
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 105403665
4-hept-6-enoxy-3,5-dimethylbenzaldehyde
CID 107007315
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164
4-octoxy-3-undec-10-enoxybenzoic acid
CID 43833889

Frequently Asked Questions

What is the IUPAC name of 3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde (CID 107007333) is 3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde is C=CCCCCCOc1ccc(C)nc1C=O.
What is the InChIKey of 3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde?
The InChIKey is IBWYNIBFUUSKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-5-6-7-10-17-14-9-8-12(2)15-13(14)11-16/h3,8-9,11H,1,4-7,10H2,2H3.
What are the key properties of 3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde?
3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde has a molecular weight of 233.31 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 107007333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).