ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate

C29H28O4 — CID 86662462

IUPACethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate
SMILESCCOC(=O)/C=C(\CCc1ccc2cc(OCOC)ccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C29H28O4/c1-3-32-29(30)19-27(25-13-12-22-6-4-5-7-23(22)17-25)11-9-21-8-10-26-18-28(33-20-31-2)15-14-24(26)16-21/h4-8,10,12-19H,3,9,11,20H2,1-2H3/b27-19+
InChIKeyFEIBSOJLOOWXPN-ZXVVBBHZSA-N
MW440.54 g/mol
LogP6.55
Rot. Bonds9

About ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate

ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate (PubChem CID 86662462) has the molecular formula C29H28O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate
PubChem CID86662462
Molecular FormulaC29H28O4
Molecular Weight440.54 g/mol
Exact Mass440.20
IUPAC Nameethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate
SMILESCCOC(=O)/C=C(\CCc1ccc2cc(OCOC)ccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C29H28O4/c1-3-32-29(30)19-27(25-13-12-22-6-4-5-7-23(22)17-25)11-9-21-8-10-26-18-28(33-20-31-2)15-14-24(26)16-21/h4-8,10,12-19H,3,9,11,20H2,1-2H3/b27-19+
InChIKeyFEIBSOJLOOWXPN-ZXVVBBHZSA-N
XLogP6.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate
CID 67357334
ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate
CID 131732159
[(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate
CID 88580923
ethyl (2E,4E,6Z)-3-methyl-7-naphthalen-2-ylocta-2,4,6-trienoate
CID 88629687
ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate
CID 10829517
2-benzyl-6-(methoxymethoxy)naphthalene
CID 132602813
ethyl 4-[3-(methoxymethoxy)phenyl]butanoate
CID 23074340
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate
CID 90754116
ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate
CID 66687162
ethyl (E)-3-quinolin-6-ylbut-2-enoate
CID 18761648

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate?
The IUPAC name of ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate (CID 86662462) is ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate.
What is the SMILES notation for ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate?
The canonical SMILES for ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate is CCOC(=O)/C=C(\CCc1ccc2cc(OCOC)ccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate?
The InChIKey is FEIBSOJLOOWXPN-ZXVVBBHZSA-N. The full InChI is InChI=1S/C29H28O4/c1-3-32-29(30)19-27(25-13-12-22-6-4-5-7-23(22)17-25)11-9-21-8-10-26-18-28(33-20-31-2)15-14-24(26)16-21/h4-8,10,12-19H,3,9,11,20H2,1-2H3/b27-19+.
What are the key properties of ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate?
ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate has a molecular weight of 440.54 g/mol, XLogP of 6.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-[6-(methoxymethoxy)naphthalen-2-yl]-3-naphthalen-2-ylpent-2-enoate is sourced from PubChem (CID 86662462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).