methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate

C20H28O6 — CID 10992130

IUPACmethyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate
SMILESCOC(=O)/C(=C\COC1CCCCO1)CCOCc1ccc(OC)cc1
InChIInChI=1S/C20H28O6/c1-22-18-8-6-16(7-9-18)15-24-13-10-17(20(21)23-2)11-14-26-19-5-3-4-12-25-19/h6-9,11,19H,3-5,10,12-15H2,1-2H3/b17-11-
InChIKeyJBMHRXQDXZGCCI-BOPFTXTBSA-N
MW364.44 g/mol
LogP3.24
Rot. Bonds10

About methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate

methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate (PubChem CID 10992130) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate
PubChem CID10992130
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Namemethyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate
SMILESCOC(=O)/C(=C\COC1CCCCO1)CCOCc1ccc(OC)cc1
InChIInChI=1S/C20H28O6/c1-22-18-8-6-16(7-9-18)15-24-13-10-17(20(21)23-2)11-14-26-19-5-3-4-12-25-19/h6-9,11,19H,3-5,10,12-15H2,1-2H3/b17-11-
InChIKeyJBMHRXQDXZGCCI-BOPFTXTBSA-N
XLogP3.24
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2E,6S,7S,8R,9E)-6-hydroxy-8-methoxy-11-[(4-methoxyphenyl)methoxy]-3,7,9-trimethyl-1-(oxan-2-yloxy)undeca-2,9-dien-4-one
CID 11123815
2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
[4-[4-[3-(oxan-2-yloxy)propyl]phenyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 145390116
5-[(4-methoxyphenyl)methoxy]pentanehydrazide
CID 63575038
N-methoxy-N-methyl-2-[[4-[2-(oxan-2-yloxy)ethoxymethyl]phenyl]methoxy]acetamide
CID 166564758
[4-[[(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienoxy]methyl]phenyl]-phenylmethanone
CID 58732511
2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane
CID 44519885
methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
methyl 3-[(4-methoxyphenyl)methyl]-5-(oxan-2-yloxymethyl)triazole-4-carboxylate
CID 67023050

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate?
The IUPAC name of methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate (CID 10992130) is methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate.
What is the SMILES notation for methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate?
The canonical SMILES for methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate is COC(=O)/C(=C\COC1CCCCO1)CCOCc1ccc(OC)cc1.
What is the InChIKey of methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate?
The InChIKey is JBMHRXQDXZGCCI-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H28O6/c1-22-18-8-6-16(7-9-18)15-24-13-10-17(20(21)23-2)11-14-26-19-5-3-4-12-25-19/h6-9,11,19H,3-5,10,12-15H2,1-2H3/b17-11-.
What are the key properties of methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate?
methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate has a molecular weight of 364.44 g/mol, XLogP of 3.24, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-(oxan-2-yloxy)but-2-enoate is sourced from PubChem (CID 10992130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).