6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde

C16H21NO3 — CID 79905824

IUPAC6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde
SMILESCc1ccc(OC2CCOC3(CCCC3)C2)c(C=O)n1
InChIInChI=1S/C16H21NO3/c1-12-4-5-15(14(11-18)17-12)20-13-6-9-19-16(10-13)7-2-3-8-16/h4-5,11,13H,2-3,6-10H2,1H3
InChIKeyRFAJZPBGRPDANO-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.07
Rot. Bonds3

About 6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde

6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde (PubChem CID 79905824) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde
PubChem CID79905824
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde
SMILESCc1ccc(OC2CCOC3(CCCC3)C2)c(C=O)n1
InChIInChI=1S/C16H21NO3/c1-12-4-5-15(14(11-18)17-12)20-13-6-9-19-16(10-13)7-2-3-8-16/h4-5,11,13H,2-3,6-10H2,1H3
InChIKeyRFAJZPBGRPDANO-UHFFFAOYSA-N
XLogP3.07
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde
CID 79905683
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
CID 79906115
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-methylpyridin-2-amine
CID 79905053
4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041
9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
CID 79905452
4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 79923323
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
3-nitro-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
CID 79901928
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde (CID 79905824) is 6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde is Cc1ccc(OC2CCOC3(CCCC3)C2)c(C=O)n1.
What is the InChIKey of 6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde?
The InChIKey is RFAJZPBGRPDANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12-4-5-15(14(11-18)17-12)20-13-6-9-19-16(10-13)7-2-3-8-16/h4-5,11,13H,2-3,6-10H2,1H3.
What are the key properties of 6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde?
6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde has a molecular weight of 275.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 79905824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).