tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate

C15H20O4 — CID 11369081

IUPACtert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate
SMILESCC(C)(C)OC(=O)OC/C=C\[C@@H](O)c1ccccc1
InChIInChI=1S/C15H20O4/c1-15(2,3)19-14(17)18-11-7-10-13(16)12-8-5-4-6-9-12/h4-10,13,16H,11H2,1-3H3/b10-7-/t13-/m1/s1
InChIKeyKSISVZJKPMEXSQ-PGJNLMOESA-N
MW264.32 g/mol
LogP3.23
Rot. Bonds4

About tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate

tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate (PubChem CID 11369081) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate.

Molecular Properties

Compound Nametert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate
PubChem CID11369081
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nametert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate
SMILESCC(C)(C)OC(=O)OC/C=C\[C@@H](O)c1ccccc1
InChIInChI=1S/C15H20O4/c1-15(2,3)19-14(17)18-11-7-10-13(16)12-8-5-4-6-9-12/h4-10,13,16H,11H2,1-3H3/b10-7-/t13-/m1/s1
InChIKeyKSISVZJKPMEXSQ-PGJNLMOESA-N
XLogP3.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl [(E)-4-methylpent-2-enyl] carbonate
CID 101385228
[(E)-5-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-phenylpent-3-enyl] 2,2,2-trichloroethanimidate
CID 102363813
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796
(2-methylpropan-2-yl)oxycarbonyl (3S)-3-amino-3-phenylpropanoate
CID 174500905
[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate
CID 101376664
tert-butyl 3-hydroxy-2-methyl-3-phenylpropanoate
CID 571985
tert-butyl 3-chloro-3-oxo-2-phenylpropanoate
CID 20529658
dimethyl 2-[(E)-6-hydroxy-2-methylidene-6-phenylhex-4-enyl]propanedioate
CID 15473740
tert-butyl 2-amino-2-benzhydrylhex-5-enoate
CID 67618075
tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate
CID 25140708
ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate
CID 10999453
ethyl [(Z,2S,5R)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate
CID 15348850

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate?
The IUPAC name of tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate (CID 11369081) is tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate.
What is the SMILES notation for tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate?
The canonical SMILES for tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate is CC(C)(C)OC(=O)OC/C=C\[C@@H](O)c1ccccc1.
What is the InChIKey of tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate?
The InChIKey is KSISVZJKPMEXSQ-PGJNLMOESA-N. The full InChI is InChI=1S/C15H20O4/c1-15(2,3)19-14(17)18-11-7-10-13(16)12-8-5-4-6-9-12/h4-10,13,16H,11H2,1-3H3/b10-7-/t13-/m1/s1.
What are the key properties of tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate?
tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate has a molecular weight of 264.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate is sourced from PubChem (CID 11369081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).