tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate

C17H24O3 — CID 140807767

IUPACtert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate
SMILESCCC(C)Oc1ccccc1C=CC(=O)OC(C)(C)C
InChIInChI=1S/C17H24O3/c1-6-13(2)19-15-10-8-7-9-14(15)11-12-16(18)20-17(3,4)5/h7-13H,6H2,1-5H3
InChIKeyMIVYENZOCRSQBO-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.22
Rot. Bonds5

About tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate

tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate (PubChem CID 140807767) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate
PubChem CID140807767
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Nametert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate
SMILESCCC(C)Oc1ccccc1C=CC(=O)OC(C)(C)C
InChIInChI=1S/C17H24O3/c1-6-13(2)19-15-10-8-7-9-14(15)11-12-16(18)20-17(3,4)5/h7-13H,6H2,1-5H3
InChIKeyMIVYENZOCRSQBO-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (E)-3-(2-propan-2-yloxyphenyl)prop-2-enoate
CID 130331865
tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 130331815
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 130331874
tert-butyl (E)-3-(2-propan-2-ylsulfanylphenyl)prop-2-enoate
CID 58788884
2-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]acetic acid
CID 71623527
(E)-3-(2-pentan-3-yloxyphenyl)prop-2-enoic acid
CID 69342004
tert-butyl (E)-3-(2-tert-butylphenyl)prop-2-enoate
CID 89085119
(E)-3-[2-[(2R)-butan-2-yl]oxyphenyl]-1-(1,1-dioxo-1,2-thiazolidin-2-yl)prop-2-en-1-one
CID 95763769
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
1-[3-(2-butan-2-yloxyphenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 126770036
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(2-butan-2-yloxyphenyl)prop-2-en-1-one
CID 126784156

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate?
The IUPAC name of tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate (CID 140807767) is tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate.
What is the SMILES notation for tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate?
The canonical SMILES for tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate is CCC(C)Oc1ccccc1C=CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate?
The InChIKey is MIVYENZOCRSQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-6-13(2)19-15-10-8-7-9-14(15)11-12-16(18)20-17(3,4)5/h7-13H,6H2,1-5H3.
What are the key properties of tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate?
tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate has a molecular weight of 276.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate is sourced from PubChem (CID 140807767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).