tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate

C14H18O3 — CID 25140708

IUPACtert-butyl [(1S)-1-phenylprop-2-enyl] carbonate
SMILESC=C[C@H](OC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H18O3/c1-5-12(11-9-7-6-8-10-11)16-13(15)17-14(2,3)4/h5-10,12H,1H2,2-4H3/t12-/m0/s1
InChIKeyFWCXWHUJUVFHHJ-LBPRGKRZSA-N
MW234.29 g/mol
LogP3.87
Rot. Bonds3

About tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate

tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate (PubChem CID 25140708) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate.

Molecular Properties

Compound Nametert-butyl [(1S)-1-phenylprop-2-enyl] carbonate
PubChem CID25140708
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nametert-butyl [(1S)-1-phenylprop-2-enyl] carbonate
SMILESC=C[C@H](OC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H18O3/c1-5-12(11-9-7-6-8-10-11)16-13(15)17-14(2,3)4/h5-10,12H,1H2,2-4H3/t12-/m0/s1
InChIKeyFWCXWHUJUVFHHJ-LBPRGKRZSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyloxy]prop-2-enyl]benzoate
CID 139446058
[(1S)-3-deuterio-1-phenylprop-2-enyl] methyl carbonate
CID 101333551
tert-butyl [(1R,5R)-3-methylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]-1,5-diphenylpentyl] carbonate
CID 10695604
tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate
CID 122223212
tert-butyl 2-amino-3-phenylpent-4-enoate
CID 154715254
methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate
CID 11323789
benzenecarbothioic S-acid;O-(1-phenylprop-2-enyl) benzenecarbothioate
CID 87327992
1-(3-methylphenyl)prop-2-enyl hydrogen carbonate
CID 175208386
1-methoxyprop-2-enylbenzene
CID 11029990
1-phenylprop-2-enyl (Z)-hex-2-enoate
CID 25179403
1-phenylprop-2-enyl cyclopent-3-ene-1-carboxylate
CID 68786190
tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate
CID 11369081

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate?
The IUPAC name of tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate (CID 25140708) is tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate.
What is the SMILES notation for tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate?
The canonical SMILES for tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate is C=C[C@H](OC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate?
The InChIKey is FWCXWHUJUVFHHJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18O3/c1-5-12(11-9-7-6-8-10-11)16-13(15)17-14(2,3)4/h5-10,12H,1H2,2-4H3/t12-/m0/s1.
What are the key properties of tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate?
tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate has a molecular weight of 234.29 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate is sourced from PubChem (CID 25140708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).