tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate

C16H20O3 — CID 173404912

IUPACtert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate
SMILESC=CC/C(=C/OC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H20O3/c1-5-9-14(13-10-7-6-8-11-13)12-18-15(17)19-16(2,3)4/h5-8,10-12H,1,9H2,2-4H3/b14-12-
InChIKeyUTEHTZHKLLLUCI-OWBHPGMISA-N
MW260.33 g/mol
LogP4.56
Rot. Bonds4

About tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate

tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate (PubChem CID 173404912) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate.

Molecular Properties

Compound Nametert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate
PubChem CID173404912
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Nametert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate
SMILESC=CC/C(=C/OC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H20O3/c1-5-9-14(13-10-7-6-8-11-13)12-18-15(17)19-16(2,3)4/h5-8,10-12H,1,9H2,2-4H3/b14-12-
InChIKeyUTEHTZHKLLLUCI-OWBHPGMISA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-phenylprop-1-enyl but-3-enoate
CID 174681900
(2-benzoyl-3-prop-2-enylphenyl) tert-butyl carbonate
CID 126660621
1-hexa-2,5-dien-3-yl-4-phenylbenzene
CID 173362855
tert-butyl 4-oxo-4-phenylbutanoate
CID 11746573
CID 162139404
CID 162139404
tert-butyl (2R)-2-(but-3-enoylamino)-2-phenylacetate
CID 115539441
tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate
CID 25140708
tert-butyl (Z)-3,5-diphenylpent-2-enoate
CID 118672322
benzoic acid;tert-butyl acetate
CID 143820890
2,2-dimethyl-1-phenylbut-3-en-1-one
CID 569795
(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
CID 102038420
tert-butyl (2S)-2-(benzhydrylideneamino)hex-5-enoate
CID 58911908

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate?
The IUPAC name of tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate (CID 173404912) is tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate.
What is the SMILES notation for tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate?
The canonical SMILES for tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate is C=CC/C(=C/OC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate?
The InChIKey is UTEHTZHKLLLUCI-OWBHPGMISA-N. The full InChI is InChI=1S/C16H20O3/c1-5-9-14(13-10-7-6-8-11-13)12-18-15(17)19-16(2,3)4/h5-8,10-12H,1,9H2,2-4H3/b14-12-.
What are the key properties of tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate?
tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate has a molecular weight of 260.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(1Z)-2-phenylpenta-1,4-dienyl] carbonate is sourced from PubChem (CID 173404912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).