2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate

C18H18O4 — CID 101047899

IUPAC2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H18O4/c1-13(2)18(20)22-10-9-21-17(19)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11H,1,9-10,12H2,2H3
InChIKeyOBASJFGDICTZQY-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.04
Rot. Bonds6

About 2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate

2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate (PubChem CID 101047899) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate
PubChem CID101047899
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H18O4/c1-13(2)18(20)22-10-9-21-17(19)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11H,1,9-10,12H2,2H3
InChIKeyOBASJFGDICTZQY-UHFFFAOYSA-N
XLogP3.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-(naphthalen-2-ylmethyl)azanium
CID 19917679
trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium
CID 15225296
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 139921074
2-(2-methylprop-2-enyl)naphthalene
CID 24722193
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
iodo 2-naphthalen-2-ylacetate
CID 129274840
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
CID 162695032
CID 162695032

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate (CID 101047899) is 2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate?
The InChIKey is OBASJFGDICTZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-13(2)18(20)22-10-9-21-17(19)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11H,1,9-10,12H2,2H3.
What are the key properties of 2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate?
2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate has a molecular weight of 298.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 101047899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).