2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde

C18H18O3 — CID 44521633

IUPAC2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde
SMILESC=CCOC/C=C\COc1ccc2ccccc2c1C=O
InChIInChI=1S/C18H18O3/c1-2-11-20-12-5-6-13-21-18-10-9-15-7-3-4-8-16(15)17(18)14-19/h2-10,14H,1,11-13H2/b6-5-
InChIKeyXPRRFGNFGTXVNG-WAYWQWQTSA-N
MW282.34 g/mol
LogP3.79
Rot. Bonds8

About 2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde

2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde (PubChem CID 44521633) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde
PubChem CID44521633
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde
SMILESC=CCOC/C=C\COc1ccc2ccccc2c1C=O
InChIInChI=1S/C18H18O3/c1-2-11-20-12-5-6-13-21-18-10-9-15-7-3-4-8-16(15)17(18)14-19/h2-10,14H,1,11-13H2/b6-5-
InChIKeyXPRRFGNFGTXVNG-WAYWQWQTSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.79
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

2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate
CID 20798470
(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide
CID 170876678
4-(1-formylnaphthalen-2-yl)oxybutanenitrile
CID 43389591
2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
CID 163342997
prop-2-enyl 1-formylnaphthalene-2-sulfonate
CID 87097722

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde (CID 44521633) is 2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde is C=CCOC/C=C\COc1ccc2ccccc2c1C=O.
What is the InChIKey of 2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde?
The InChIKey is XPRRFGNFGTXVNG-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-11-20-12-5-6-13-21-18-10-9-15-7-3-4-8-16(15)17(18)14-19/h2-10,14H,1,11-13H2/b6-5-.
What are the key properties of 2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde?
2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 44521633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).