[(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate

C11H20O4 — CID 5366877

IUPAC[(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate
SMILESCOC(CC/C(C)=C\COC(C)=O)OC
InChIInChI=1S/C11H20O4/c1-9(7-8-15-10(2)12)5-6-11(13-3)14-4/h7,11H,5-6,8H2,1-4H3/b9-7-
InChIKeyRKRDHNSXWAVKCD-CLFYSBASSA-N
MW216.28 g/mol
LogP1.89
Rot. Bonds7

About [(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate

[(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate (PubChem CID 5366877) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate
PubChem CID5366877
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name[(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate
SMILESCOC(CC/C(C)=C\COC(C)=O)OC
InChIInChI=1S/C11H20O4/c1-9(7-8-15-10(2)12)5-6-11(13-3)14-4/h7,11H,5-6,8H2,1-4H3/b9-7-
InChIKeyRKRDHNSXWAVKCD-CLFYSBASSA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Geranyl Acetate
CID 1549026
Neryl acetate
CID 1549025
3,7-Dimethylocta-2,6-dienyl acetate
CID 7780
2-Hexen-1-ol, 3-methyl-, 1-acetate
CID 22342475
3-Methylhex-2-en-1-yl acetate
CID 54442944
3-Methylhex-2-en-1-yl acetate
CID 54442944
Octa-2,6-diene, 1,8-diacetoxy-2,6-dimethyl-
CID 5363800
(1S,4Z,8E)-4,8,12-trimethyl-2,14-dioxabicyclo[9.3.0]tetradeca-4,8,11-trien-13-one
CID 163026020
[16-Acetyloxy-3,11-bis(acetyloxymethyl)-7,15-dimethylhexadeca-2,6,10,14-tetraenyl] acetate
CID 163044950
[(2E,6E,10E)-3-(acetyloxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl] acetate
CID 14756344
[(2E,6E,10E)-3-(acetyloxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl] acetate
CID 14756344
3-(1-Ethoxyethoxy)-3,7-dimethylocta-2,6-diene
CID 44149427

Frequently Asked Questions

What is the IUPAC name of [(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate?
The IUPAC name of [(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate (CID 5366877) is [(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate.
What is the SMILES notation for [(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate?
The canonical SMILES for [(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate is COC(CC/C(C)=C\COC(C)=O)OC.
What is the InChIKey of [(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate?
The InChIKey is RKRDHNSXWAVKCD-CLFYSBASSA-N. The full InChI is InChI=1S/C11H20O4/c1-9(7-8-15-10(2)12)5-6-11(13-3)14-4/h7,11H,5-6,8H2,1-4H3/b9-7-.
What are the key properties of [(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate?
[(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate has a molecular weight of 216.28 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6,6-dimethoxy-3-methylhex-2-enyl] acetate is sourced from PubChem (CID 5366877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).