ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate

C11H18O5 — CID 121223822

IUPACethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate
SMILESCCOC(=O)/C(C)=C(/C)OC1COCCO1
InChIInChI=1S/C11H18O5/c1-4-14-11(12)8(2)9(3)16-10-7-13-5-6-15-10/h10H,4-7H2,1-3H3/b9-8-
InChIKeyUEZWLSUUBGAKSX-HJWRWDBZSA-N
MW230.26 g/mol
LogP1.23
Rot. Bonds4

About ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate

ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate (PubChem CID 121223822) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate
PubChem CID121223822
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate
SMILESCCOC(=O)/C(C)=C(/C)OC1COCCO1
InChIInChI=1S/C11H18O5/c1-4-14-11(12)8(2)9(3)16-10-7-13-5-6-15-10/h10H,4-7H2,1-3H3/b9-8-
InChIKeyUEZWLSUUBGAKSX-HJWRWDBZSA-N
XLogP1.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,5,6-Trimethyl-1,3-dioxin-4-one
CID 21602578
tert-butyl (Z)-3-(1,4-dioxan-2-yloxy)but-2-enoate
CID 121015288
propan-2-yl (Z)-3-(1,4-dioxan-2-yloxy)but-2-enoate
CID 121222390
prop-2-enyl (Z)-3-(1,4-dioxan-2-yloxy)but-2-enoate
CID 162408943
ethyl (Z)-3-(1,4-dioxan-2-yloxy)but-2-enoate
CID 162414684
(2S)-2,5,6-trimethyl-1,3-dioxin-4-one
CID 642505
Acetic acid, 2,2'-(3,6-dimethoxy-1,4-dioxane-2,5-diylidene)bis-, dimethyl ester
CID 5366000
Methyl 2-[3,6-dimethoxy-5-(2-methoxy-2-oxoethylidene)-1,4-dioxan-2-ylidene]acetate
CID 550082
(2,6-dimethyl-4H-1,3-dioxin-5-yl) acetate
CID 20517254
3-(methoxymethoxy)-4-methyl-2H-furan-5-one
CID 69099032
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,3-dimethylbut-2-enoate
CID 71195037
1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl 2,3-dimethylbut-2-enoate
CID 89359798

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate?
The IUPAC name of ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate (CID 121223822) is ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate?
The canonical SMILES for ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate is CCOC(=O)/C(C)=C(/C)OC1COCCO1.
What is the InChIKey of ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate?
The InChIKey is UEZWLSUUBGAKSX-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-14-11(12)8(2)9(3)16-10-7-13-5-6-15-10/h10H,4-7H2,1-3H3/b9-8-.
What are the key properties of ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate?
ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate has a molecular weight of 230.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(1,4-dioxan-2-yloxy)-2-methylbut-2-enoate is sourced from PubChem (CID 121223822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).