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

C24H32O5 — CID 10250397

IUPACethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate
SMILESCCCCCOc1cc(/C=C\C(=O)OCC)c2cccc(CC)c2c1OCOC
InChIInChI=1S/C24H32O5/c1-5-8-9-15-28-21-16-19(13-14-22(25)27-7-3)20-12-10-11-18(6-2)23(20)24(21)29-17-26-4/h10-14,16H,5-9,15,17H2,1-4H3/b14-13-
InChIKeyMMNVYSFKEFXSSG-YPKPFQOOSA-N
MW400.52 g/mol
LogP5.53
Rot. Bonds12

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

ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate (PubChem CID 10250397) has the molecular formula C24H32O5 and a molecular weight of 400.52 g/mol. Its IUPAC name is ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate
PubChem CID10250397
Molecular FormulaC24H32O5
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Nameethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate
SMILESCCCCCOc1cc(/C=C\C(=O)OCC)c2cccc(CC)c2c1OCOC
InChIInChI=1S/C24H32O5/c1-5-8-9-15-28-21-16-19(13-14-22(25)27-7-3)20-12-10-11-18(6-2)23(20)24(21)29-17-26-4/h10-14,16H,5-9,15,17H2,1-4H3/b14-13-
InChIKeyMMNVYSFKEFXSSG-YPKPFQOOSA-N
XLogP5.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10385609
ethyl (E)-3-[3-ethoxy-5-ethyl-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10338451
5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde
CID 10471842
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
ethyl (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-methylprop-2-enoate
CID 10316348
ethyl (E)-3-(2-heptoxyphenyl)prop-2-enoate
CID 69051271
ethyl (E)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]but-2-enoate
CID 10066966
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
(2Z)-2-[[3-methoxy-4-(methoxymethoxy)-5-propylnaphthalen-1-yl]methylidene]butanoic acid
CID 10383765
(E)-3-(3-ethoxy-5-ethyl-4-hydroxynaphthalen-1-yl)prop-2-enoic acid
CID 11778745
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate (CID 10250397) is ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate is CCCCCOc1cc(/C=C\C(=O)OCC)c2cccc(CC)c2c1OCOC.
What is the InChIKey of ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate?
The InChIKey is MMNVYSFKEFXSSG-YPKPFQOOSA-N. The full InChI is InChI=1S/C24H32O5/c1-5-8-9-15-28-21-16-19(13-14-22(25)27-7-3)20-12-10-11-18(6-2)23(20)24(21)29-17-26-4/h10-14,16H,5-9,15,17H2,1-4H3/b14-13-.
What are the key properties of ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate?
ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate has a molecular weight of 400.52 g/mol, XLogP of 5.53, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate is sourced from PubChem (CID 10250397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).