[4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate

C20H20O5 — CID 139636295

IUPAC[4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OC(C)OC(=O)C(=C)C)c2ccccc12
InChIInChI=1S/C20H20O5/c1-12(2)19(21)24-14(5)23-17-10-11-18(25-20(22)13(3)4)16-9-7-6-8-15(16)17/h6-11,14H,1,3H2,2,4-5H3
InChIKeySHRINCXVVNRPPX-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.17
Rot. Bonds6

About [4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate

[4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate (PubChem CID 139636295) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is [4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate
PubChem CID139636295
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name[4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OC(C)OC(=O)C(=C)C)c2ccccc12
InChIInChI=1S/C20H20O5/c1-12(2)19(21)24-14(5)23-17-10-11-18(25-20(22)13(3)4)16-9-7-6-8-15(16)17/h6-11,14H,1,3H2,2,4-5H3
InChIKeySHRINCXVVNRPPX-UHFFFAOYSA-N
XLogP4.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22011551
(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
CID 13195611
1-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl 2-methylprop-2-enoate
CID 174820774
1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate
CID 19828999
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22602054
1-(4-carbonochloridoylphenoxy)ethyl 2-methylprop-2-enoate
CID 19025994
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[(E)-3-[4-[4-[(E)-3-(2-methylprop-2-enoyloxy)but-2-en-2-yl]oxynaphthalen-1-yl]phenoxy]but-2-en-2-yl] 2-methylprop-2-enoate
CID 118881585

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate (CID 139636295) is [4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(OC(C)OC(=O)C(=C)C)c2ccccc12.
What is the InChIKey of [4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate?
The InChIKey is SHRINCXVVNRPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-12(2)19(21)24-14(5)23-17-10-11-18(25-20(22)13(3)4)16-9-7-6-8-15(16)17/h6-11,14H,1,3H2,2,4-5H3.
What are the key properties of [4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate?
[4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate has a molecular weight of 340.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 139636295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).