prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate

C17H16O3 — CID 90322332

IUPACprop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
SMILESC=CCOC(=O)c1ccc2cc(OCC=C)ccc2c1
InChIInChI=1S/C17H16O3/c1-3-9-19-16-8-7-13-11-15(6-5-14(13)12-16)17(18)20-10-4-2/h3-8,11-12H,1-2,9-10H2
InChIKeyDWVXZTOLZDSEJT-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.75
Rot. Bonds6

About prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate

prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate (PubChem CID 90322332) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
PubChem CID90322332
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Nameprop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
SMILESC=CCOC(=O)c1ccc2cc(OCC=C)ccc2c1
InChIInChI=1S/C17H16O3/c1-3-9-19-16-8-7-13-11-15(6-5-14(13)12-16)17(18)20-10-4-2/h3-8,11-12H,1-2,9-10H2
InChIKeyDWVXZTOLZDSEJT-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
CID 160520654
[3,6,7,10,11-pentakis[(6-prop-2-enoxynaphthalene-2-carbonyl)oxy]triphenylen-2-yl] 6-prop-2-enoxynaphthalene-2-carboxylate
CID 101087654
(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate
CID 139854089
prop-2-enyl 5-prop-2-enoxy-1-benzothiophene-2-carboxylate
CID 13452866
prop-2-enyl 4-(aminomethoxy)benzoate
CID 156663143
[4-(prop-2-enoyloxymethoxy)phenyl] 6-(4-prop-2-enoxybenzoyl)oxynaphthalene-2-carboxylate
CID 58471406
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564
1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid
CID 168981668
prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate
CID 90322329
prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
CID 118619511
prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
CID 58125258
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate?
The IUPAC name of prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate (CID 90322332) is prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate.
What is the SMILES notation for prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate?
The canonical SMILES for prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate is C=CCOC(=O)c1ccc2cc(OCC=C)ccc2c1.
What is the InChIKey of prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate?
The InChIKey is DWVXZTOLZDSEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-3-9-19-16-8-7-13-11-15(6-5-14(13)12-16)17(18)20-10-4-2/h3-8,11-12H,1-2,9-10H2.
What are the key properties of prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate?
prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate is sourced from PubChem (CID 90322332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).