4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde

C16H29NO2 — CID 123954316

IUPAC4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde
SMILESCC1/C=N/CCCCCCCCC(C=O)COCC1
InChIInChI=1S/C16H29NO2/c1-15-9-11-19-14-16(13-18)8-6-4-2-3-5-7-10-17-12-15/h12-13,15-16H,2-11,14H2,1H3/b17-12+
InChIKeyXIBPFXKDJPYTNG-SFQUDFHCSA-N
MW267.41 g/mol
LogP3.66
Rot. Bonds1

About 4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde

4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde (PubChem CID 123954316) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde
PubChem CID123954316
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde
SMILESCC1/C=N/CCCCCCCCC(C=O)COCC1
InChIInChI=1S/C16H29NO2/c1-15-9-11-19-14-16(13-18)8-6-4-2-3-5-7-10-17-12-15/h12-13,15-16H,2-11,14H2,1H3/b17-12+
InChIKeyXIBPFXKDJPYTNG-SFQUDFHCSA-N
XLogP3.66
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 1-azacyclononadecene-4-carboxylate
CID 141162494
Ethyl 1-azacyclopentadecene-3-carboxylate
CID 175216508
2-Methyl-8-(methyliminomethyl)-9-(4-methyl-3-oxopentoxy)nonan-3-one
CID 178008502

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde?
The IUPAC name of 4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde (CID 123954316) is 4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde.
What is the SMILES notation for 4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde?
The canonical SMILES for 4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde is CC1/C=N/CCCCCCCCC(C=O)COCC1.
What is the InChIKey of 4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde?
The InChIKey is XIBPFXKDJPYTNG-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H29NO2/c1-15-9-11-19-14-16(13-18)8-6-4-2-3-5-7-10-17-12-15/h12-13,15-16H,2-11,14H2,1H3/b17-12+.
What are the key properties of 4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde?
4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde has a molecular weight of 267.41 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxa-6-azacyclohexadec-5-ene-15-carbaldehyde is sourced from PubChem (CID 123954316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).