tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate

C11H20O3 — CID 74018986

IUPACtert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate
SMILESCC(C)(C)OC=CC(=O)OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-10(2,3)13-8-7-9(12)14-11(4,5)6/h7-8H,1-6H3
InChIKeyVXEAUFFXMFFOCF-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.66
Rot. Bonds2

About tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate

tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate (PubChem CID 74018986) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate
PubChem CID74018986
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate
SMILESCC(C)(C)OC=CC(=O)OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-10(2,3)13-8-7-9(12)14-11(4,5)6/h7-8H,1-6H3
InChIKeyVXEAUFFXMFFOCF-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.66
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 (E)-3-iodoprop-2-enoate
CID 10999580
tert-butyl (Z)-4-oxopent-2-enoate
CID 58880394
tert-butyl 4-iodobut-2-enoate
CID 86037302
tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate
CID 102348097
methane;4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
CID 173377461
4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoate
CID 7055993
2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate
CID 141112568
tert-butyl (E)-5-methylhex-2-enoate
CID 11446750
1,1,1-trifluoro-4-[(2-methylpropan-2-yl)oxy]but-3-en-2-one
CID 86181399
(1E)-1-[(2-methylpropan-2-yl)oxy]penta-1,4-dien-3-one
CID 101348724
tert-butyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 68895336
methyl (E)-4-[(2-methylpropan-2-yl)oxy]-2-oxobut-3-enoate
CID 10867050

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate?
The IUPAC name of tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate (CID 74018986) is tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate.
What is the SMILES notation for tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate?
The canonical SMILES for tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate is CC(C)(C)OC=CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate?
The InChIKey is VXEAUFFXMFFOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2,3)13-8-7-9(12)14-11(4,5)6/h7-8H,1-6H3.
What are the key properties of tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate?
tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate is sourced from PubChem (CID 74018986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).