2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate

C11H20O4 — CID 175512775

IUPAC2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate
SMILESC=C(OC)C(=O)OCCOCC(C)(C)C
InChIInChI=1S/C11H20O4/c1-9(13-5)10(12)15-7-6-14-8-11(2,3)4/h1,6-8H2,2-5H3
InChIKeyDYAFQSFBEMHVNG-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.75
Rot. Bonds6

About 2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate

2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate (PubChem CID 175512775) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate
PubChem CID175512775
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate
SMILESC=C(OC)C(=O)OCCOCC(C)(C)C
InChIInChI=1S/C11H20O4/c1-9(13-5)10(12)15-7-6-14-8-11(2,3)4/h1,6-8H2,2-5H3
InChIKeyDYAFQSFBEMHVNG-UHFFFAOYSA-N
XLogP1.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methoxyprop-2-enoate
CID 175188156
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 87550777
2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate
CID 174488486
2,2-dimethylpropyl 2-[2-(2,2-dimethylpropoxycarbonyl)prop-2-enoxymethyl]prop-2-enoate
CID 139630888
2-ethoxyethyl 2-ethoxyprop-2-enoate
CID 57101637
2-(2-bromooxy-2-methylpropoxy)ethyl 2-methylprop-2-enoate
CID 87178004

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate?
The IUPAC name of 2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate (CID 175512775) is 2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate?
The canonical SMILES for 2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate is C=C(OC)C(=O)OCCOCC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate?
The InChIKey is DYAFQSFBEMHVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-9(13-5)10(12)15-7-6-14-8-11(2,3)4/h1,6-8H2,2-5H3.
What are the key properties of 2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate?
2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate is sourced from PubChem (CID 175512775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).