[(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate

C13H24O4 — CID 11118275

IUPAC[(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate
SMILESCOCOC(/C=C/C(C)(C)OC(C)=O)C(C)C
InChIInChI=1S/C13H24O4/c1-10(2)12(16-9-15-6)7-8-13(4,5)17-11(3)14/h7-8,10,12H,9H2,1-6H3/b8-7+
InChIKeyUKPLXLWPUWAWIF-BQYQJAHWSA-N
MW244.33 g/mol
LogP2.53
Rot. Bonds7

About [(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate

[(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate (PubChem CID 11118275) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is [(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate
PubChem CID11118275
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name[(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate
SMILESCOCOC(/C=C/C(C)(C)OC(C)=O)C(C)C
InChIInChI=1S/C13H24O4/c1-10(2)12(16-9-15-6)7-8-13(4,5)17-11(3)14/h7-8,10,12H,9H2,1-6H3/b8-7+
InChIKeyUKPLXLWPUWAWIF-BQYQJAHWSA-N
XLogP2.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.53
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

[(E)-2-methylhex-4-en-3-yl] acetate
CID 13444199
[(E)-2-methylhex-4-en-3-yl] acetate
CID 13444199
[(E,3S)-2-methylhex-4-en-3-yl] acetate
CID 10888146
[(E)-1-acetyloxy-4-methylpent-2-enyl] acetate
CID 11481064
[(E)-2,6-dimethylhept-4-en-3-yl] ethyl carbonate
CID 11608200
tert-butyl (E,4S)-4-(methoxymethoxy)pent-2-enoate
CID 15383233
ethyl (E,4R)-4-(methoxymethoxy)hex-2-enoate
CID 16128038
[3-acetyloxy-6-(2-methylbutan-2-yloxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 72833880
[(E,2R)-6-methylhept-3-en-2-yl] acetate
CID 102594179
(Z)-1,4-bis(methoxymethoxy)-5-methylhex-2-ene
CID 134898164
[(E,3S)-2-methyloct-4-en-3-yl] acetate
CID 134992693
[(Z,3S)-2-methylnon-4-en-3-yl] acetate
CID 134992967

Frequently Asked Questions

What is the IUPAC name of [(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate?
The IUPAC name of [(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate (CID 11118275) is [(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate.
What is the SMILES notation for [(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate?
The canonical SMILES for [(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate is COCOC(/C=C/C(C)(C)OC(C)=O)C(C)C.
What is the InChIKey of [(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate?
The InChIKey is UKPLXLWPUWAWIF-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H24O4/c1-10(2)12(16-9-15-6)7-8-13(4,5)17-11(3)14/h7-8,10,12H,9H2,1-6H3/b8-7+.
What are the key properties of [(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate?
[(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate has a molecular weight of 244.33 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate is sourced from PubChem (CID 11118275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).