methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate

C11H18O4 — CID 11458551

IUPACmethyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate
SMILESCOC(=O)/C=C(/C)COC1CCCCO1
InChIInChI=1S/C11H18O4/c1-9(7-10(12)13-2)8-15-11-5-3-4-6-14-11/h7,11H,3-6,8H2,1-2H3/b9-7-
InChIKeyDLYJUIJGHIKSMR-CLFYSBASSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds4

About methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate

methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate (PubChem CID 11458551) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate
PubChem CID11458551
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate
SMILESCOC(=O)/C=C(/C)COC1CCCCO1
InChIInChI=1S/C11H18O4/c1-9(7-10(12)13-2)8-15-11-5-3-4-6-14-11/h7,11H,3-6,8H2,1-2H3/b9-7-
InChIKeyDLYJUIJGHIKSMR-CLFYSBASSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-4-(oxan-2-yloxy)-3-tributylstannylbut-2-enoate
CID 11081459
methyl (2E,4E)-2-methyl-6-(oxan-2-yloxy)hexa-2,4-dienoate
CID 134902146
2-[(E)-2-methylbut-2-enoxy]tetrahydropyran
CID 12623536
2-(Oxan-2-yloxy)ethyl 2-methylprop-2-enoate
CID 19738332
methyl 4-methyl-3-[2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-2-pentenoate
CID 86690515
methyl (2E,4Z)-3-methyl-6-(oxan-2-yloxy)hexa-2,4-dienoate
CID 5469965
2-Butenoic acid, 4-(tetrahydro-2H-pyran-2-yloxy)-, methyl ester
CID 5367955
ethyl (E)-3-methyl-4-(oxan-2-yloxy)but-2-enoate
CID 11107104
ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate
CID 11483205
ethyl (E)-4,4-diethoxy-3-methylbut-2-enoate
CID 12386519
2-[(Z)-2-methylbut-2-enoxy]oxane
CID 12623535
ethyl (E)-5-(1,3-dioxan-2-yl)-3-methylpent-2-enoate
CID 132536224

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate?
The IUPAC name of methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate (CID 11458551) is methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate.
What is the SMILES notation for methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate?
The canonical SMILES for methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate is COC(=O)/C=C(/C)COC1CCCCO1.
What is the InChIKey of methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate?
The InChIKey is DLYJUIJGHIKSMR-CLFYSBASSA-N. The full InChI is InChI=1S/C11H18O4/c1-9(7-10(12)13-2)8-15-11-5-3-4-6-14-11/h7,11H,3-6,8H2,1-2H3/b9-7-.
What are the key properties of methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate?
methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate is sourced from PubChem (CID 11458551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).