[2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate

C21H26O3 — CID 59482716

IUPAC[2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CCOC(C)c1ccc2ccccc2c1
InChIInChI=1S/C21H26O3/c1-15(2)20(22)24-21(4,5)12-13-23-16(3)18-11-10-17-8-6-7-9-19(17)14-18/h6-11,14,16H,1,12-13H2,2-5H3
InChIKeyUMQNEKURJZMTCP-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.21
Rot. Bonds7

About [2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate

[2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate (PubChem CID 59482716) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is [2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate
PubChem CID59482716
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name[2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CCOC(C)c1ccc2ccccc2c1
InChIInChI=1S/C21H26O3/c1-15(2)20(22)24-21(4,5)12-13-23-16(3)18-11-10-17-8-6-7-9-19(17)14-18/h6-11,14,16H,1,12-13H2,2-5H3
InChIKeyUMQNEKURJZMTCP-UHFFFAOYSA-N
XLogP5.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-ethyl-1-(1-naphthalen-2-ylethoxy)pentan-3-yl] 2-methylprop-2-enoate;[3-ethyl-1-(1-phenanthren-2-ylethoxy)pentan-3-yl] 2-methylprop-2-enoate;[3-ethyl-1-(1-phenanthren-3-ylethoxy)pentan-3-yl] 2-methylprop-2-enoate;[3-methyl-1-(1-phenanthren-9-ylethoxy)pentan-3-yl] 2-methylprop-2-enoate
CID 162213749
[2-methyl-4-(1-phenanthren-3-ylethoxy)butan-2-yl] prop-2-enoate
CID 59482831
[2-methyl-4-(1-phenanthren-9-ylethoxy)butan-2-yl] 2-(trifluoromethyl)prop-2-enoate
CID 59482784
[2-methyl-4-[2-[2,4,6-tris(1-phenylethyl)phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 121306738
[3-ethyl-1-(1-phenanthren-2-ylethoxy)pentan-3-yl] prop-2-enoate
CID 59482876
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
[2-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 138631455
[3-methyl-3-(2-methylprop-2-enoyloxy)butyl] 3,4,5-trihydroxybenzoate
CID 89262538
[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate
CID 123706360
[2-methyl-4-[2-[4-[2-[4-[2-[3-methyl-3-(2-methylprop-2-enoyloxy)butoxy]propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 89135330
[2-methyl-1-(2-methylnaphthalen-1-yl)oxypropan-2-yl] 2-methylprop-2-enoate
CID 59482747
ethyl 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-naphthalen-2-ylmethyl]prop-2-enoate
CID 56929944

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate (CID 59482716) is [2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)CCOC(C)c1ccc2ccccc2c1.
What is the InChIKey of [2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate?
The InChIKey is UMQNEKURJZMTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-15(2)20(22)24-21(4,5)12-13-23-16(3)18-11-10-17-8-6-7-9-19(17)14-18/h6-11,14,16H,1,12-13H2,2-5H3.
What are the key properties of [2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate?
[2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate has a molecular weight of 326.44 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(1-naphthalen-2-ylethoxy)butan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 59482716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).