3-hept-6-enoxy-4-methoxybenzaldehyde

C15H20O3 — CID 107007313

IUPAC3-hept-6-enoxy-4-methoxybenzaldehyde
SMILESC=CCCCCCOc1cc(C=O)ccc1OC
InChIInChI=1S/C15H20O3/c1-3-4-5-6-7-10-18-15-11-13(12-16)8-9-14(15)17-2/h3,8-9,11-12H,1,4-7,10H2,2H3
InChIKeyOREZDDSGKGQEHG-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.63
Rot. Bonds9

About 3-hept-6-enoxy-4-methoxybenzaldehyde

3-hept-6-enoxy-4-methoxybenzaldehyde (PubChem CID 107007313) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-hept-6-enoxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-hept-6-enoxy-4-methoxybenzaldehyde
PubChem CID107007313
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-hept-6-enoxy-4-methoxybenzaldehyde
SMILESC=CCCCCCOc1cc(C=O)ccc1OC
InChIInChI=1S/C15H20O3/c1-3-4-5-6-7-10-18-15-11-13(12-16)8-9-14(15)17-2/h3,8-9,11-12H,1,4-7,10H2,2H3
InChIKeyOREZDDSGKGQEHG-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.63
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

4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate
CID 87741357
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
3-(but-3-enoxymethyl)-4-methoxybenzaldehyde
CID 62031393
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-methoxy-3-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 102974983
3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde
CID 107007333
4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde
CID 141375491
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-hept-6-enoxy-3,5-dimethylbenzaldehyde
CID 107007315
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807

Frequently Asked Questions

What is the IUPAC name of 3-hept-6-enoxy-4-methoxybenzaldehyde?
The IUPAC name of 3-hept-6-enoxy-4-methoxybenzaldehyde (CID 107007313) is 3-hept-6-enoxy-4-methoxybenzaldehyde.
What is the SMILES notation for 3-hept-6-enoxy-4-methoxybenzaldehyde?
The canonical SMILES for 3-hept-6-enoxy-4-methoxybenzaldehyde is C=CCCCCCOc1cc(C=O)ccc1OC.
What is the InChIKey of 3-hept-6-enoxy-4-methoxybenzaldehyde?
The InChIKey is OREZDDSGKGQEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-4-5-6-7-10-18-15-11-13(12-16)8-9-14(15)17-2/h3,8-9,11-12H,1,4-7,10H2,2H3.
What are the key properties of 3-hept-6-enoxy-4-methoxybenzaldehyde?
3-hept-6-enoxy-4-methoxybenzaldehyde has a molecular weight of 248.32 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-6-enoxy-4-methoxybenzaldehyde is sourced from PubChem (CID 107007313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).