6-nonoxy-1,3-benzodioxole-5-carbaldehyde

C17H24O4 — CID 63529679

IUPAC6-nonoxy-1,3-benzodioxole-5-carbaldehyde
SMILESCCCCCCCCCOc1cc2c(cc1C=O)OCO2
InChIInChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-9-19-15-11-17-16(20-13-21-17)10-14(15)12-18/h10-12H,2-9,13H2,1H3
InChIKeyOFGZHMZRFZQFJX-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.36
Rot. Bonds10

About 6-nonoxy-1,3-benzodioxole-5-carbaldehyde

6-nonoxy-1,3-benzodioxole-5-carbaldehyde (PubChem CID 63529679) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-nonoxy-1,3-benzodioxole-5-carbaldehyde.

Molecular Properties

Compound Name6-nonoxy-1,3-benzodioxole-5-carbaldehyde
PubChem CID63529679
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name6-nonoxy-1,3-benzodioxole-5-carbaldehyde
SMILESCCCCCCCCCOc1cc2c(cc1C=O)OCO2
InChIInChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-9-19-15-11-17-16(20-13-21-17)10-14(15)12-18/h10-12H,2-9,13H2,1H3
InChIKeyOFGZHMZRFZQFJX-UHFFFAOYSA-N
XLogP4.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(5-hydroxypentoxy)-1,3-benzodioxole-5-carbaldehyde
CID 62228686
5-[(6-formyl-1,3-benzodioxol-5-yl)oxy]pentanenitrile
CID 55011727
6-(3-butoxy-2-hydroxypropoxy)-1,3-benzodioxole-5-carbaldehyde
CID 107263272
methyl 4-[(6-formyl-1,3-benzodioxol-5-yl)oxy]butanoate
CID 55011774
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde
CID 101201557
6-[(6-formyl-1,3-benzodioxol-5-yl)oxy]-2,2-dimethylhexanenitrile
CID 106710646
6-[2-(2-methylpropoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde
CID 106453045
6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde
CID 55011970
6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
CID 135381089
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
methyl 2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetate
CID 55012112
6-(2-phenylsulfanylethoxy)-1,3-benzodioxole-5-carbaldehyde
CID 79227561

Frequently Asked Questions

What is the IUPAC name of 6-nonoxy-1,3-benzodioxole-5-carbaldehyde?
The IUPAC name of 6-nonoxy-1,3-benzodioxole-5-carbaldehyde (CID 63529679) is 6-nonoxy-1,3-benzodioxole-5-carbaldehyde.
What is the SMILES notation for 6-nonoxy-1,3-benzodioxole-5-carbaldehyde?
The canonical SMILES for 6-nonoxy-1,3-benzodioxole-5-carbaldehyde is CCCCCCCCCOc1cc2c(cc1C=O)OCO2.
What is the InChIKey of 6-nonoxy-1,3-benzodioxole-5-carbaldehyde?
The InChIKey is OFGZHMZRFZQFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-9-19-15-11-17-16(20-13-21-17)10-14(15)12-18/h10-12H,2-9,13H2,1H3.
What are the key properties of 6-nonoxy-1,3-benzodioxole-5-carbaldehyde?
6-nonoxy-1,3-benzodioxole-5-carbaldehyde has a molecular weight of 292.38 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonoxy-1,3-benzodioxole-5-carbaldehyde is sourced from PubChem (CID 63529679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).