ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate

C22H28O6 — CID 10385609

IUPACethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C\c1cc(OCCOC)c(OCOC)c2c(CC)cccc12
InChIInChI=1S/C22H28O6/c1-5-16-8-7-9-18-17(10-11-20(23)26-6-2)14-19(27-13-12-24-3)22(21(16)18)28-15-25-4/h7-11,14H,5-6,12-13,15H2,1-4H3/b11-10-
InChIKeyBKUSYOJPUYILQS-KHPPLWFESA-N
MW388.46 g/mol
LogP3.99
Rot. Bonds11

About ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate

ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate (PubChem CID 10385609) has the molecular formula C22H28O6 and a molecular weight of 388.46 g/mol. Its IUPAC name is ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
PubChem CID10385609
Molecular FormulaC22H28O6
Molecular Weight388.46 g/mol
Exact Mass388.19
IUPAC Nameethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C\c1cc(OCCOC)c(OCOC)c2c(CC)cccc12
InChIInChI=1S/C22H28O6/c1-5-16-8-7-9-18-17(10-11-20(23)26-6-2)14-19(27-13-12-24-3)22(21(16)18)28-15-25-4/h7-11,14H,5-6,12-13,15H2,1-4H3/b11-10-
InChIKeyBKUSYOJPUYILQS-KHPPLWFESA-N
XLogP3.99
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (E)-3-[3-ethoxy-5-ethyl-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10338451
ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate
CID 10250397
ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate
CID 10019525
ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10425877
5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde
CID 10471842
ethyl (E)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]but-2-enoate
CID 10066966
5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 10016170
(Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid
CID 11741233
(E)-3-(3-ethoxy-5-ethyl-4-hydroxynaphthalen-1-yl)prop-2-enoic acid
CID 11778745
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
ethyl (E)-3-(5-chloro-2-propoxyphenyl)prop-2-enoate
CID 102538033

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate (CID 10385609) is ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate is CCOC(=O)/C=C\c1cc(OCCOC)c(OCOC)c2c(CC)cccc12.
What is the InChIKey of ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate?
The InChIKey is BKUSYOJPUYILQS-KHPPLWFESA-N. The full InChI is InChI=1S/C22H28O6/c1-5-16-8-7-9-18-17(10-11-20(23)26-6-2)14-19(27-13-12-24-3)22(21(16)18)28-15-25-4/h7-11,14H,5-6,12-13,15H2,1-4H3/b11-10-.
What are the key properties of ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate?
ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate has a molecular weight of 388.46 g/mol, XLogP of 3.99, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate is sourced from PubChem (CID 10385609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).