[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate

C19H24O2 — CID 22035471

IUPAC[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate
SMILESCC(C)=CCC/C(C)=C\COC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H24O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-14H,7,9,15H2,1-3H3/b13-12+,17-14-
InChIKeyJCWXWRIQSPDSKY-SQCSQLHISA-N
MW284.40 g/mol
LogP4.94
Rot. Bonds7

About [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate

[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate (PubChem CID 22035471) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate
PubChem CID22035471
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate
SMILESCC(C)=CCC/C(C)=C\COC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H24O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-14H,7,9,15H2,1-3H3/b13-12+,17-14-
InChIKeyJCWXWRIQSPDSKY-SQCSQLHISA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 5373772
3,7-dimethylocta-2,6-dienyl 2-oxo-2-phenylacetate
CID 140658272
[(3S)-3,7-dimethyloct-6-enyl] (E)-3-phenylprop-2-enoate
CID 86310523
[(3S)-3,7-dimethyloct-6-enyl] (Z)-3-phenylprop-2-enoate
CID 97304810
[(3S)-3,7-dimethylocta-1,6-dien-3-yl] (Z)-3-phenylprop-2-enoate
CID 25021844
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
diethyl 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 53381295
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate
CID 53253335
[(E)-3-phenylprop-2-enyl] butanoate;[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
CID 174922543
[(2E)-3,7-dimethylocta-2,6-dienoxy]carbonyl-dimethyl-(2-phenylethyl)azanium bromide
CID 140987342

Frequently Asked Questions

What is the IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate (CID 22035471) is [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate is CC(C)=CCC/C(C)=C\COC(=O)/C=C/c1ccccc1.
What is the InChIKey of [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate?
The InChIKey is JCWXWRIQSPDSKY-SQCSQLHISA-N. The full InChI is InChI=1S/C19H24O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-14H,7,9,15H2,1-3H3/b13-12+,17-14-.
What are the key properties of [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate?
[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate has a molecular weight of 284.40 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 22035471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).