3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde

C16H22O3 — CID 168878563

IUPAC3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCCC=C(C)CC
InChIInChI=1S/C16H22O3/c1-4-13(3)7-6-10-19-15-9-8-14(12-17)11-16(15)18-5-2/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyCBZADEINVPQSLD-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.02
Rot. Bonds8

About 3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde

3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde (PubChem CID 168878563) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde
PubChem CID168878563
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCCC=C(C)CC
InChIInChI=1S/C16H22O3/c1-4-13(3)7-6-10-19-15-9-8-14(12-17)11-16(15)18-5-2/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyCBZADEINVPQSLD-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.02
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

3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686
3-ethoxy-4-(3-methylsulfanylpropoxy)benzaldehyde
CID 115650903
3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde
CID 2219731
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
4-[3-(4-chlorophenoxy)propoxy]-3-ethoxybenzaldehyde
CID 2219732
4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde
CID 21404165
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
CID 22681141
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
4-ethoxy-3-ethylbenzaldehyde
CID 53410104

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde?
The IUPAC name of 3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde (CID 168878563) is 3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde?
The canonical SMILES for 3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde is CCOc1cc(C=O)ccc1OCCC=C(C)CC.
What is the InChIKey of 3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde?
The InChIKey is CBZADEINVPQSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-13(3)7-6-10-19-15-9-8-14(12-17)11-16(15)18-5-2/h7-9,11-12H,4-6,10H2,1-3H3.
What are the key properties of 3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde?
3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde has a molecular weight of 262.35 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde is sourced from PubChem (CID 168878563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).