[(E)-2,6-dimethylhept-4-en-3-yl] acetate

C11H20O2 — CID 24741676

IUPAC[(E)-2,6-dimethylhept-4-en-3-yl] acetate
SMILESCC(=O)OC(/C=C/C(C)C)C(C)C
InChIInChI=1S/C11H20O2/c1-8(2)6-7-11(9(3)4)13-10(5)12/h6-9,11H,1-5H3/b7-6+
InChIKeyCMJGXUOOKWSUGO-VOTSOKGWSA-N
MW184.28 g/mol
LogP2.79
Rot. Bonds4

About [(E)-2,6-dimethylhept-4-en-3-yl] acetate

[(E)-2,6-dimethylhept-4-en-3-yl] acetate (PubChem CID 24741676) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(E)-2,6-dimethylhept-4-en-3-yl] acetate.

Molecular Properties

Compound Name[(E)-2,6-dimethylhept-4-en-3-yl] acetate
PubChem CID24741676
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(E)-2,6-dimethylhept-4-en-3-yl] acetate
SMILESCC(=O)OC(/C=C/C(C)C)C(C)C
InChIInChI=1S/C11H20O2/c1-8(2)6-7-11(9(3)4)13-10(5)12/h6-9,11H,1-5H3/b7-6+
InChIKeyCMJGXUOOKWSUGO-VOTSOKGWSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate
CID 101081249
[(E)-4-methyl-1-nitropent-1-en-3-yl] acetate
CID 10352429
4-hydroxypent-1-en-3-yl acetate
CID 130149697
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
(4-acetyloxy-5-methylhex-1-en-3-yl) acetate
CID 123347745
(4-methyl-1,1-diphenylpent-1-en-3-yl) acetate
CID 101081255
[(2R,3R,4R)-3,4-dihydroxy-1-oxopentan-2-yl] acetate
CID 141317796
[(Z,5S,6S)-9-methyl-6-(trifluoromethyl)dec-7-en-5-yl] acetate
CID 135667469
(3-methylsulfanyl-1-oxobutan-2-yl) acetate
CID 57263200
propan-2-yl acetate;hydrochloride
CID 87336432
[(Z)-1-acetyloxybut-2-enyl] acetate
CID 5363431
[(2R)-but-3-en-2-yl] acetate
CID 11378468

Frequently Asked Questions

What is the IUPAC name of [(E)-2,6-dimethylhept-4-en-3-yl] acetate?
The IUPAC name of [(E)-2,6-dimethylhept-4-en-3-yl] acetate (CID 24741676) is [(E)-2,6-dimethylhept-4-en-3-yl] acetate.
What is the SMILES notation for [(E)-2,6-dimethylhept-4-en-3-yl] acetate?
The canonical SMILES for [(E)-2,6-dimethylhept-4-en-3-yl] acetate is CC(=O)OC(/C=C/C(C)C)C(C)C.
What is the InChIKey of [(E)-2,6-dimethylhept-4-en-3-yl] acetate?
The InChIKey is CMJGXUOOKWSUGO-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)6-7-11(9(3)4)13-10(5)12/h6-9,11H,1-5H3/b7-6+.
What are the key properties of [(E)-2,6-dimethylhept-4-en-3-yl] acetate?
[(E)-2,6-dimethylhept-4-en-3-yl] acetate has a molecular weight of 184.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,6-dimethylhept-4-en-3-yl] acetate is sourced from PubChem (CID 24741676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).