tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate

C17H24O4 — CID 169432227

IUPACtert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate
SMILESCOc1cccc(OC(C)C)c1/C=C/C(=O)OC(C)(C)C
InChIInChI=1S/C17H24O4/c1-12(2)20-15-9-7-8-14(19-6)13(15)10-11-16(18)21-17(3,4)5/h7-12H,1-6H3/b11-10+
InChIKeySKJYSSYFHIXVFY-ZHACJKMWSA-N
MW292.38 g/mol
LogP3.84
Rot. Bonds5

About tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate

tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate (PubChem CID 169432227) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate
PubChem CID169432227
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Nametert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate
SMILESCOc1cccc(OC(C)C)c1/C=C/C(=O)OC(C)(C)C
InChIInChI=1S/C17H24O4/c1-12(2)20-15-9-7-8-14(19-6)13(15)10-11-16(18)21-17(3,4)5/h7-12H,1-6H3/b11-10+
InChIKeySKJYSSYFHIXVFY-ZHACJKMWSA-N
XLogP3.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate (CID 169432227) is tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate is COc1cccc(OC(C)C)c1/C=C/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate?
The InChIKey is SKJYSSYFHIXVFY-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H24O4/c1-12(2)20-15-9-7-8-14(19-6)13(15)10-11-16(18)21-17(3,4)5/h7-12H,1-6H3/b11-10+.
What are the key properties of tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate?
tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate has a molecular weight of 292.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate is sourced from PubChem (CID 169432227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).