[(Z)-5-phenyl-2-propylpent-2-enyl] propanoate

C17H24O2 — CID 102043612

IUPAC[(Z)-5-phenyl-2-propylpent-2-enyl] propanoate
SMILESCCC/C(=C/CCc1ccccc1)COC(=O)CC
InChIInChI=1S/C17H24O2/c1-3-9-16(14-19-17(18)4-2)13-8-12-15-10-6-5-7-11-15/h5-7,10-11,13H,3-4,8-9,12,14H2,1-2H3/b16-13-
InChIKeyKDHHTSWKLBDAEK-SSZFMOIBSA-N
MW260.38 g/mol
LogP4.30
Rot. Bonds8

About [(Z)-5-phenyl-2-propylpent-2-enyl] propanoate

[(Z)-5-phenyl-2-propylpent-2-enyl] propanoate (PubChem CID 102043612) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is [(Z)-5-phenyl-2-propylpent-2-enyl] propanoate.

Molecular Properties

Compound Name[(Z)-5-phenyl-2-propylpent-2-enyl] propanoate
PubChem CID102043612
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name[(Z)-5-phenyl-2-propylpent-2-enyl] propanoate
SMILESCCC/C(=C/CCc1ccccc1)COC(=O)CC
InChIInChI=1S/C17H24O2/c1-3-9-16(14-19-17(18)4-2)13-8-12-15-10-6-5-7-11-15/h5-7,10-11,13H,3-4,8-9,12,14H2,1-2H3/b16-13-
InChIKeyKDHHTSWKLBDAEK-SSZFMOIBSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propanoyl 3-phenylpropanoate
CID 19437711
diethyl (2E)-2-(3-phenylpropylidene)butanedioate
CID 11011721
benzyl propanoate;hydrochloride
CID 140986165
ethyl (E)-5-phenyl-2-(trifluoromethyl)pent-2-enoate
CID 143963074
4-phenylbutyl butanoate
CID 59678642
benzyl butanoate;propanoic acid
CID 175271849
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
2-phenylethyl 2-methyl-5-phenylpent-2-enoate
CID 174876813
(2Z)-2-pentylidene-8-phenyloctanamide
CID 118453451
4-chloropent-3-enylbenzene
CID 71383765
(2-phenylacetyl) butanoate
CID 54432060
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-phenyl-2-propylpent-2-enyl] propanoate?
The IUPAC name of [(Z)-5-phenyl-2-propylpent-2-enyl] propanoate (CID 102043612) is [(Z)-5-phenyl-2-propylpent-2-enyl] propanoate.
What is the SMILES notation for [(Z)-5-phenyl-2-propylpent-2-enyl] propanoate?
The canonical SMILES for [(Z)-5-phenyl-2-propylpent-2-enyl] propanoate is CCC/C(=C/CCc1ccccc1)COC(=O)CC.
What is the InChIKey of [(Z)-5-phenyl-2-propylpent-2-enyl] propanoate?
The InChIKey is KDHHTSWKLBDAEK-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-9-16(14-19-17(18)4-2)13-8-12-15-10-6-5-7-11-15/h5-7,10-11,13H,3-4,8-9,12,14H2,1-2H3/b16-13-.
What are the key properties of [(Z)-5-phenyl-2-propylpent-2-enyl] propanoate?
[(Z)-5-phenyl-2-propylpent-2-enyl] propanoate has a molecular weight of 260.38 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-phenyl-2-propylpent-2-enyl] propanoate is sourced from PubChem (CID 102043612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).