[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate

C19H28O2 — CID 143376285

IUPAC[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate
SMILESC/C=C\C(=C/C=C(C)C)OC(=O)C(/C=C\C(C)C)=C/CC
InChIInChI=1S/C19H28O2/c1-7-9-17(13-11-15(3)4)19(20)21-18(10-8-2)14-12-16(5)6/h8-15H,7H2,1-6H3/b10-8-,13-11-,17-9+,18-14+
InChIKeyZQCJKSZBMCEPCZ-TWVZBAGSSA-N
MW288.43 g/mol
LogP5.50
Rot. Bonds7

About [(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate

[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate (PubChem CID 143376285) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is [(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate.

Molecular Properties

Compound Name[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate
PubChem CID143376285
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate
SMILESC/C=C\C(=C/C=C(C)C)OC(=O)C(/C=C\C(C)C)=C/CC
InChIInChI=1S/C19H28O2/c1-7-9-17(13-11-15(3)4)19(20)21-18(10-8-2)14-12-16(5)6/h8-15H,7H2,1-6H3/b10-8-,13-11-,17-9+,18-14+
InChIKeyZQCJKSZBMCEPCZ-TWVZBAGSSA-N
XLogP5.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate with MolForge

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Related Compounds

ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate
CID 46873133
methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate
CID 163442754
(E,3E)-3-ethylidene-6-methylhept-4-en-2-one
CID 91250506
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
(Z)-2-propan-2-yloxypent-2-ene
CID 145137792
bis[(E)-pent-2-en-2-yl] carbonate
CID 89437425
[(E)-pent-2-en-2-yl] acetate
CID 12958660
(Z,4E)-7-amino-4-ethylideneoct-5-en-3-one
CID 143381633
propane;(E)-N-propan-2-ylbut-2-enamide
CID 177014610
(3Z)-2,9,13-trimethyltetradeca-3,8,10,12-tetraen-5-one
CID 87815383
(Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione
CID 143087164
(2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene
CID 88961780

Frequently Asked Questions

What is the IUPAC name of [(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate?
The IUPAC name of [(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate (CID 143376285) is [(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate.
What is the SMILES notation for [(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate?
The canonical SMILES for [(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate is C/C=C\C(=C/C=C(C)C)OC(=O)C(/C=C\C(C)C)=C/CC.
What is the InChIKey of [(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate?
The InChIKey is ZQCJKSZBMCEPCZ-TWVZBAGSSA-N. The full InChI is InChI=1S/C19H28O2/c1-7-9-17(13-11-15(3)4)19(20)21-18(10-8-2)14-12-16(5)6/h8-15H,7H2,1-6H3/b10-8-,13-11-,17-9+,18-14+.
What are the key properties of [(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate?
[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate has a molecular weight of 288.43 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E)-7-methylocta-2,4,6-trien-4-yl] (Z,2E)-5-methyl-2-propylidenehex-3-enoate is sourced from PubChem (CID 143376285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).