tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate

C16H22O3 — CID 151831781

IUPACtert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate
SMILESCc1cc(C)cc(C=CCOC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H22O3/c1-12-9-13(2)11-14(10-12)7-6-8-18-15(17)19-16(3,4)5/h6-7,9-11H,8H2,1-5H3
InChIKeySEURZVZHWXHXOF-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.27
Rot. Bonds3

About tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate

tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate (PubChem CID 151831781) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate.

Molecular Properties

Compound Nametert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate
PubChem CID151831781
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nametert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate
SMILESCc1cc(C)cc(C=CCOC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H22O3/c1-12-9-13(2)11-14(10-12)7-6-8-18-15(17)19-16(3,4)5/h6-7,9-11H,8H2,1-5H3
InChIKeySEURZVZHWXHXOF-UHFFFAOYSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (E)-3-(3,5-dimethylphenyl)prop-2-enoate
CID 42640542
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
tert-butyl [(E)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enyl] carbonate
CID 154723296
tert-butyl [(E)-4-methylpent-2-enyl] carbonate
CID 101385228
tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate
CID 11369081
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene
CID 173058757
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386708
[(E)-3-(4-bromophenyl)prop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 134900413
3-(3,4-dimethylphenyl)prop-2-enyl hydrogen carbonate
CID 175063351
[(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate
CID 23630652

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate?
The IUPAC name of tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate (CID 151831781) is tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate.
What is the SMILES notation for tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate?
The canonical SMILES for tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate is Cc1cc(C)cc(C=CCOC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate?
The InChIKey is SEURZVZHWXHXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12-9-13(2)11-14(10-12)7-6-8-18-15(17)19-16(3,4)5/h6-7,9-11H,8H2,1-5H3.
What are the key properties of tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate?
tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate has a molecular weight of 262.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate is sourced from PubChem (CID 151831781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).