3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde

C16H20O4 — CID 79906115

IUPAC3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C16H20O4/c1-18-15-9-12(11-17)3-4-14(15)20-13-5-8-19-16(10-13)6-2-7-16/h3-4,9,11,13H,2,5-8,10H2,1H3
InChIKeyKJZRBNMCGZASTI-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.99
Rot. Bonds4

About 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde

3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde (PubChem CID 79906115) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
PubChem CID79906115
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C16H20O4/c1-18-15-9-12(11-17)3-4-14(15)20-13-5-8-19-16(10-13)6-2-7-16/h3-4,9,11,13H,2,5-8,10H2,1H3
InChIKeyKJZRBNMCGZASTI-UHFFFAOYSA-N
XLogP2.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.99
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

3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904771
3-bromo-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
CID 79901943
3-nitro-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
CID 79901928
4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
CID 54175149
6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde
CID 79905683
6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde
CID 79905824
methyl 5-amino-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoate
CID 106955854
potassium trifluoro-[5-methoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]boranuide
CID 113443480
5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79898658
9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane
CID 79899956
5-oxaspiro[3.5]nonan-8-yl 5-amino-2-methoxybenzoate
CID 79908727
4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde?
The IUPAC name of 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde (CID 79906115) is 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde?
The canonical SMILES for 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde is COc1cc(C=O)ccc1OC1CCOC2(CCC2)C1.
What is the InChIKey of 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde?
The InChIKey is KJZRBNMCGZASTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-18-15-9-12(11-17)3-4-14(15)20-13-5-8-19-16(10-13)6-2-7-16/h3-4,9,11,13H,2,5-8,10H2,1H3.
What are the key properties of 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde?
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde has a molecular weight of 276.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde is sourced from PubChem (CID 79906115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).