tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate

C18H26O3 — CID 132937378

IUPACtert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate
SMILESCCC(C)c1cccc(OC)c1/C=C/C(=O)OC(C)(C)C
InChIInChI=1S/C18H26O3/c1-7-13(2)14-9-8-10-16(20-6)15(14)11-12-17(19)21-18(3,4)5/h8-13H,7H2,1-6H3/b12-11+
InChIKeySGTVXNIGBDWCLT-VAWYXSNFSA-N
MW290.40 g/mol
LogP4.56
Rot. Bonds5

About tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate

tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate (PubChem CID 132937378) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate
PubChem CID132937378
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Nametert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate
SMILESCCC(C)c1cccc(OC)c1/C=C/C(=O)OC(C)(C)C
InChIInChI=1S/C18H26O3/c1-7-13(2)14-9-8-10-16(20-6)15(14)11-12-17(19)21-18(3,4)5/h8-13H,7H2,1-6H3/b12-11+
InChIKeySGTVXNIGBDWCLT-VAWYXSNFSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.56
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-methoxy-6-(1-methoxyhexan-2-yl)phenyl]prop-2-enoate
CID 132937386
tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate
CID 169432227
tert-butyl (E)-3-[2-(3-cyanopropyl)-6-methoxyphenyl]prop-2-enoate
CID 162420498
tert-butyl (E)-3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyphenyl]prop-2-enoate
CID 169432229
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
ethyl (E)-3-[2-methoxy-6-[(1R)-1-(oxetan-2-yloxy)ethyl]phenyl]prop-2-enoate
CID 149314492
tert-butyl 3-(2-butan-2-yloxyphenyl)prop-2-enoate
CID 140807767
(5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate
CID 58078988
tert-butyl (E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate
CID 42640185
tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate
CID 102794759

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate (CID 132937378) is tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate is CCC(C)c1cccc(OC)c1/C=C/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate?
The InChIKey is SGTVXNIGBDWCLT-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H26O3/c1-7-13(2)14-9-8-10-16(20-6)15(14)11-12-17(19)21-18(3,4)5/h8-13H,7H2,1-6H3/b12-11+.
What are the key properties of tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate?
tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate has a molecular weight of 290.40 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 132937378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).