tert-butyl (Z)-3-methoxyprop-2-enoate

C8H14O3 — CID 134985904

IUPACtert-butyl (Z)-3-methoxyprop-2-enoate
SMILESCO/C=C\C(=O)OC(C)(C)C
InChIInChI=1S/C8H14O3/c1-8(2,3)11-7(9)5-6-10-4/h5-6H,1-4H3/b6-5-
InChIKeyOHWGCWUIQFALOJ-WAYWQWQTSA-N
MW158.20 g/mol
LogP1.49
Rot. Bonds2

About tert-butyl (Z)-3-methoxyprop-2-enoate

tert-butyl (Z)-3-methoxyprop-2-enoate (PubChem CID 134985904) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is tert-butyl (Z)-3-methoxyprop-2-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-3-methoxyprop-2-enoate
PubChem CID134985904
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nametert-butyl (Z)-3-methoxyprop-2-enoate
SMILESCO/C=C\C(=O)OC(C)(C)C
InChIInChI=1S/C8H14O3/c1-8(2,3)11-7(9)5-6-10-4/h5-6H,1-4H3/b6-5-
InChIKeyOHWGCWUIQFALOJ-WAYWQWQTSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tert-Butyl acrylate
CID 15458
Ethyl (2E)-3-ethoxy-2-propenoate
CID 5366269
Neopentyl acrylate
CID 98887
Methyl 3-methoxyacrylate
CID 5323651
ethyl 4-[(E)-3-methoxy-3-oxoprop-1-enoxy]but-2-ynoate
CID 46887409
Vinyl acetate ethyl acrylate
CID 168319
Ethyl 3-ethoxy-2-propenoate
CID 221780
Butyl prop-2-enoate;1-ethenoxy-2-methylpropane
CID 168526
Methyl 3-methoxyprop-2-enoate
CID 2724617
Ethyl 3-acetoxyacrylate
CID 3047722
Ethyl acetoxyacrylate
CID 6446644
Ethenyl acetate;ethyl prop-2-enoate;methyl prop-2-enoate
CID 6454541

Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-3-methoxyprop-2-enoate?
The IUPAC name of tert-butyl (Z)-3-methoxyprop-2-enoate (CID 134985904) is tert-butyl (Z)-3-methoxyprop-2-enoate.
What is the SMILES notation for tert-butyl (Z)-3-methoxyprop-2-enoate?
The canonical SMILES for tert-butyl (Z)-3-methoxyprop-2-enoate is CO/C=C\C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (Z)-3-methoxyprop-2-enoate?
The InChIKey is OHWGCWUIQFALOJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2,3)11-7(9)5-6-10-4/h5-6H,1-4H3/b6-5-.
What are the key properties of tert-butyl (Z)-3-methoxyprop-2-enoate?
tert-butyl (Z)-3-methoxyprop-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-3-methoxyprop-2-enoate is sourced from PubChem (CID 134985904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).