2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate

C31H30O6 — CID 139533290

IUPAC2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCOc1ccc2ccccc2c1.C=CC(=O)OCCOc1ccc2ccccc2c1
InChIInChI=1S/C16H16O3.C15H14O3/c1-12(2)16(17)19-10-9-18-15-8-7-13-5-3-4-6-14(13)11-15;1-2-15(16)18-10-9-17-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,1,9-10H2,2H3;2-8,11H,1,9-10H2
InChIKeyMDRZLSJQYWPKDC-UHFFFAOYSA-N
MW498.58 g/mol
LogP6.29
Rot. Bonds10

About 2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate

2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate (PubChem CID 139533290) has the molecular formula C31H30O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
PubChem CID139533290
Molecular FormulaC31H30O6
Molecular Weight498.58 g/mol
Exact Mass498.20
IUPAC Name2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCOc1ccc2ccccc2c1.C=CC(=O)OCCOc1ccc2ccccc2c1
InChIInChI=1S/C16H16O3.C15H14O3/c1-12(2)16(17)19-10-9-18-15-8-7-13-5-3-4-6-14(13)11-15;1-2-15(16)18-10-9-17-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,1,9-10H2,2H3;2-8,11H,1,9-10H2
InChIKeyMDRZLSJQYWPKDC-UHFFFAOYSA-N
XLogP6.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene
CID 66750102
2-(4-benzoyl-3-hydroxyphenoxy)ethyl prop-2-enoate;butyl 2-methylprop-2-enoate
CID 67726276
2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate
CID 101047899
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 67127109
[4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118907751
2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
CID 163299706
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate?
The IUPAC name of 2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate (CID 139533290) is 2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate.
What is the SMILES notation for 2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate?
The canonical SMILES for 2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate is C=C(C)C(=O)OCCOc1ccc2ccccc2c1.C=CC(=O)OCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate?
The InChIKey is MDRZLSJQYWPKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3.C15H14O3/c1-12(2)16(17)19-10-9-18-15-8-7-13-5-3-4-6-14(13)11-15;1-2-15(16)18-10-9-17-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,1,9-10H2,2H3;2-8,11H,1,9-10H2.
What are the key properties of 2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate?
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate has a molecular weight of 498.58 g/mol, XLogP of 6.29, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate is sourced from PubChem (CID 139533290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).