[(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate

C18H24O2 — CID 168866624

IUPAC[(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate
SMILESC=C(CC(C)C(=O)OCC/C=C\CC)c1ccccc1
InChIInChI=1S/C18H24O2/c1-4-5-6-10-13-20-18(19)16(3)14-15(2)17-11-8-7-9-12-17/h5-9,11-12,16H,2,4,10,13-14H2,1,3H3/b6-5-
InChIKeySSSVDSLARHWEFX-WAYWQWQTSA-N
MW272.39 g/mol
LogP4.63
Rot. Bonds8

About [(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate

[(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate (PubChem CID 168866624) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate
PubChem CID168866624
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name[(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate
SMILESC=C(CC(C)C(=O)OCC/C=C\CC)c1ccccc1
InChIInChI=1S/C18H24O2/c1-4-5-6-10-13-20-18(19)16(3)14-15(2)17-11-8-7-9-12-17/h5-9,11-12,16H,2,4,10,13-14H2,1,3H3/b6-5-
InChIKeySSSVDSLARHWEFX-WAYWQWQTSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
[(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate
CID 167437987
tert-butylbenzene;[(E)-hex-3-enyl] methyl carbonate
CID 174922445
bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate
CID 91698045
butyl 2-hydroxy-4-phenylpent-4-enoate
CID 15878269
[(Z)-hex-3-enyl] 2-phenylacetate
CID 5367698
ethyl (2R)-2-(benzhydrylamino)-4-phenylpent-4-enoate
CID 58666213
ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 102028913
[(E)-hex-3-enyl] 2-chloropropanoate
CID 5463678
ethyl 2-fluoro-4-phenylpent-4-enoate
CID 166658649
triethyl 4-phenylpent-4-ene-1,1,2-tricarboxylate
CID 162400604

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate?
The IUPAC name of [(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate (CID 168866624) is [(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate.
What is the SMILES notation for [(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate?
The canonical SMILES for [(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate is C=C(CC(C)C(=O)OCC/C=C\CC)c1ccccc1.
What is the InChIKey of [(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate?
The InChIKey is SSSVDSLARHWEFX-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H24O2/c1-4-5-6-10-13-20-18(19)16(3)14-15(2)17-11-8-7-9-12-17/h5-9,11-12,16H,2,4,10,13-14H2,1,3H3/b6-5-.
What are the key properties of [(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate?
[(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate has a molecular weight of 272.39 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate is sourced from PubChem (CID 168866624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).