[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

C19H24O3 — CID 132967560

IUPAC[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESCC(C)=CCC/C(C)=C\COC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C19H24O3/c1-15(2)5-4-6-16(3)13-14-22-19(21)12-9-17-7-10-18(20)11-8-17/h5,7-13,20H,4,6,14H2,1-3H3/b12-9+,16-13-
InChIKeyYFASDGOQOINOOM-SVJYBPAOSA-N
MW300.40 g/mol
LogP4.64
Rot. Bonds7

About [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 132967560) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID132967560
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESCC(C)=CCC/C(C)=C\COC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C19H24O3/c1-15(2)5-4-6-16(3)13-14-22-19(21)12-9-17-7-10-18(20)11-8-17/h5,7-13,20H,4,6,14H2,1-3H3/b12-9+,16-13-
InChIKeyYFASDGOQOINOOM-SVJYBPAOSA-N
XLogP4.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate (CID 132967560) is [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate is CC(C)=CCC/C(C)=C\COC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is YFASDGOQOINOOM-SVJYBPAOSA-N. The full InChI is InChI=1S/C19H24O3/c1-15(2)5-4-6-16(3)13-14-22-19(21)12-9-17-7-10-18(20)11-8-17/h5,7-13,20H,4,6,14H2,1-3H3/b12-9+,16-13-.
What are the key properties of [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?
[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 300.40 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 132967560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).