[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate

C12H18O2 — CID 156682914

IUPAC[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
SMILESC=CC(=C)CC/C=C(/C)COC(C)=O
InChIInChI=1S/C12H18O2/c1-5-10(2)7-6-8-11(3)9-14-12(4)13/h5,8H,1-2,6-7,9H2,3-4H3/b11-8-
InChIKeyYGUUXLXMTKARJN-FLIBITNWSA-N
MW194.27 g/mol
LogP3.02
Rot. Bonds6

About [(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate

[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate (PubChem CID 156682914) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is [(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate.

Molecular Properties

Compound Name[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
PubChem CID156682914
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
SMILESC=CC(=C)CC/C=C(/C)COC(C)=O
InChIInChI=1S/C12H18O2/c1-5-10(2)7-6-8-11(3)9-14-12(4)13/h5,8H,1-2,6-7,9H2,3-4H3/b11-8-
InChIKeyYGUUXLXMTKARJN-FLIBITNWSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.02
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

[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
CID 25184885
[(2E,6E)-2,6-dimethylocta-2,6-dienyl] acetate
CID 88547676
7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene
CID 54253605
[(E)-5-acetyloxy-4-methylpent-3-enyl] acetate
CID 11310159
2,6-dimethylocta-2,6-dienyl prop-2-enoate
CID 54293274
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
2-methyldec-2-enyl acetate
CID 123999734
7-methyl-3-methylideneocta-1,6-diene
CID 173118544
methyl (2E)-2-methyl-6-methylideneocta-2,7-dienoate
CID 121220543
(10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate
CID 173356213
[(2E,6E,8R,10S)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trienyl] acetate
CID 10827791
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate?
The IUPAC name of [(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate (CID 156682914) is [(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate.
What is the SMILES notation for [(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate?
The canonical SMILES for [(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate is C=CC(=C)CC/C=C(/C)COC(C)=O.
What is the InChIKey of [(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate?
The InChIKey is YGUUXLXMTKARJN-FLIBITNWSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-10(2)7-6-8-11(3)9-14-12(4)13/h5,8H,1-2,6-7,9H2,3-4H3/b11-8-.
What are the key properties of [(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate?
[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate has a molecular weight of 194.27 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate is sourced from PubChem (CID 156682914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).