[(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate

C17H22O3 — CID 167437987

IUPAC[(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate
SMILESCC/C=C\CCOC(=O)C(C)OC=Cc1ccccc1
InChIInChI=1S/C17H22O3/c1-3-4-5-9-13-20-17(18)15(2)19-14-12-16-10-7-6-8-11-16/h4-8,10-12,14-15H,3,9,13H2,1-2H3/b5-4-,14-12?
InChIKeyGTUMFKUVFDYFLN-WHHWRLSDSA-N
MW274.36 g/mol
LogP3.96
Rot. Bonds8

About [(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate

[(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate (PubChem CID 167437987) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate
PubChem CID167437987
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name[(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate
SMILESCC/C=C\CCOC(=O)C(C)OC=Cc1ccccc1
InChIInChI=1S/C17H22O3/c1-3-4-5-9-13-20-17(18)15(2)19-14-12-16-10-7-6-8-11-16/h4-8,10-12,14-15H,3,9,13H2,1-2H3/b5-4-,14-12?
InChIKeyGTUMFKUVFDYFLN-WHHWRLSDSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hex-3-enyl 2-(2-phenylprop-1-enoxy)propanoate
CID 167438006
2-[(Z)-hex-3-enoxy]ethenylbenzene
CID 155674734
tert-butylbenzene;[(E)-hex-3-enyl] methyl carbonate
CID 174922445
[(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate
CID 168866624
octan-3-yl 2-(2-phenylethenoxy)propanoate
CID 167438036
[(Z)-hex-3-enyl] 2-phenylacetate
CID 5367698
1-(2-phenylethenoxy)ethyl carbamate
CID 67827178
2-phenylethenyl (2S)-2-methylbutanoate
CID 175008334
2,4-dimethylpentan-3-yl [(3Z,6Z,9Z)-dodeca-3,6,9-trienyl] carbonate
CID 140637121
[(E)-hex-3-enyl] 2-chloropropanoate
CID 5463678
4-O-(2-fluorophenyl) 1-O-[(E)-hex-3-enyl] butanedioate
CID 91698114
ethyl (E)-3-[(Z)-4-phenylbut-3-enoxy]but-2-enoate
CID 71505275

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate?
The IUPAC name of [(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate (CID 167437987) is [(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate?
The canonical SMILES for [(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate is CC/C=C\CCOC(=O)C(C)OC=Cc1ccccc1.
What is the InChIKey of [(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate?
The InChIKey is GTUMFKUVFDYFLN-WHHWRLSDSA-N. The full InChI is InChI=1S/C17H22O3/c1-3-4-5-9-13-20-17(18)15(2)19-14-12-16-10-7-6-8-11-16/h4-8,10-12,14-15H,3,9,13H2,1-2H3/b5-4-,14-12?.
What are the key properties of [(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate?
[(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate has a molecular weight of 274.36 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate is sourced from PubChem (CID 167437987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).