2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde

C16H16O2 — CID 10823964

IUPAC2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
SMILESCC(C)=CCOc1ccc2ccccc2c1C=O
InChIInChI=1S/C16H16O2/c1-12(2)9-10-18-16-8-7-13-5-3-4-6-14(13)15(16)11-17/h3-9,11H,10H2,1-2H3
InChIKeyCPSGDSWKGDADHN-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.00
Rot. Bonds4

About 2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde

2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde (PubChem CID 10823964) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
PubChem CID10823964
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
SMILESCC(C)=CCOc1ccc2ccccc2c1C=O
InChIInChI=1S/C16H16O2/c1-12(2)9-10-18-16-8-7-13-5-3-4-6-14(13)15(16)11-17/h3-9,11H,10H2,1-2H3
InChIKeyCPSGDSWKGDADHN-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde
CID 101239649
(1-formylnaphthalen-2-yl) acetate
CID 2063426
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930367
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide
CID 63677250
2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde
CID 44521633
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide
CID 28913283
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde (CID 10823964) is 2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde is CC(C)=CCOc1ccc2ccccc2c1C=O.
What is the InChIKey of 2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde?
The InChIKey is CPSGDSWKGDADHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12(2)9-10-18-16-8-7-13-5-3-4-6-14(13)15(16)11-17/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde?
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde has a molecular weight of 240.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 10823964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).