[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate

C17H26O2 — CID 25184885

IUPAC[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
SMILESC=CC(=C)CC/C=C(\CCC=C(C)C)COC(C)=O
InChIInChI=1S/C17H26O2/c1-6-15(4)10-8-12-17(13-19-16(5)18)11-7-9-14(2)3/h6,9,12H,1,4,7-8,10-11,13H2,2-3,5H3/b17-12+
InChIKeyGEYNKZNUVHPUPN-SFQUDFHCSA-N
MW262.39 g/mol
LogP4.74
Rot. Bonds9

About [(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate

[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate (PubChem CID 25184885) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate.

Molecular Properties

Compound Name[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
PubChem CID25184885
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
SMILESC=CC(=C)CC/C=C(\CCC=C(C)C)COC(C)=O
InChIInChI=1S/C17H26O2/c1-6-15(4)10-8-12-17(13-19-16(5)18)11-7-9-14(2)3/h6,9,12H,1,4,7-8,10-11,13H2,2-3,5H3/b17-12+
InChIKeyGEYNKZNUVHPUPN-SFQUDFHCSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
CID 156682914
7-methyl-3-methylideneocta-1,6-diene
CID 173118544
[(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate
CID 170742837
[2-(2-acetyloxypropylidene)-6-methylhept-5-enyl] acetate
CID 54053147
(2Z)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienoic acid
CID 154812445
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
7-ethyl-3-methylidenenona-1,6-diene
CID 167443276
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate
CID 90389130
methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate
CID 121220543
[(2E,6E)-7-(hydroxymethyl)-3,11-dimethyldodeca-2,6,10-trienyl] acetate
CID 21159763
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590
7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene
CID 54253605

Frequently Asked Questions

What is the IUPAC name of [(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate?
The IUPAC name of [(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate (CID 25184885) is [(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate.
What is the SMILES notation for [(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate?
The canonical SMILES for [(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate is C=CC(=C)CC/C=C(\CCC=C(C)C)COC(C)=O.
What is the InChIKey of [(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate?
The InChIKey is GEYNKZNUVHPUPN-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-15(4)10-8-12-17(13-19-16(5)18)11-7-9-14(2)3/h6,9,12H,1,4,7-8,10-11,13H2,2-3,5H3/b17-12+.
What are the key properties of [(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate?
[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate has a molecular weight of 262.39 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate is sourced from PubChem (CID 25184885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).