(4-acetyloxy-5-methylhex-1-en-3-yl) acetate

C11H18O4 — CID 123347745

IUPAC(4-acetyloxy-5-methylhex-1-en-3-yl) acetate
SMILESC=CC(OC(C)=O)C(OC(C)=O)C(C)C
InChIInChI=1S/C11H18O4/c1-6-10(14-8(4)12)11(7(2)3)15-9(5)13/h6-7,10-11H,1H2,2-5H3
InChIKeyYUNSCUUKTFWZBL-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.69
Rot. Bonds5

About (4-acetyloxy-5-methylhex-1-en-3-yl) acetate

(4-acetyloxy-5-methylhex-1-en-3-yl) acetate (PubChem CID 123347745) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (4-acetyloxy-5-methylhex-1-en-3-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-5-methylhex-1-en-3-yl) acetate
PubChem CID123347745
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(4-acetyloxy-5-methylhex-1-en-3-yl) acetate
SMILESC=CC(OC(C)=O)C(OC(C)=O)C(C)C
InChIInChI=1S/C11H18O4/c1-6-10(14-8(4)12)11(7(2)3)15-9(5)13/h6-7,10-11H,1H2,2-5H3
InChIKeyYUNSCUUKTFWZBL-UHFFFAOYSA-N
XLogP1.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxypent-1-en-3-yl acetate
CID 130149697
[(2R)-but-3-en-2-yl] acetate
CID 11378468
(4-hydroxy-2,5-dimethylhexan-3-yl) acetate
CID 172559655
4,4-dimethylpent-1-en-3-yl acetate
CID 12593030
[(E)-2,6-dimethylhept-4-en-3-yl] acetate
CID 24741676
[(3S,4S,5R)-3,5-dimethyl-6-oxooct-1-en-4-yl] acetate
CID 11715459
[(2S,3S,4S,5R)-3,4,5-triacetyloxyhexan-2-yl] acetate
CID 92643864
1-(4-propan-2-ylphenyl)prop-2-enyl acetate
CID 169084542
[(2R,3S,4R,5S)-3,4,5-triacetyloxy-6,6-difluoro-1-oxohexan-2-yl] acetate
CID 87333983
[(2S,3S,4R)-4-hydroxy-2-methyl-1-oxopentan-3-yl] acetate
CID 131863701
[(2R)-pent-4-en-2-yl] acetate
CID 11040717
[(3R)-pent-1-en-3-yl] acetate
CID 92859949

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-5-methylhex-1-en-3-yl) acetate?
The IUPAC name of (4-acetyloxy-5-methylhex-1-en-3-yl) acetate (CID 123347745) is (4-acetyloxy-5-methylhex-1-en-3-yl) acetate.
What is the SMILES notation for (4-acetyloxy-5-methylhex-1-en-3-yl) acetate?
The canonical SMILES for (4-acetyloxy-5-methylhex-1-en-3-yl) acetate is C=CC(OC(C)=O)C(OC(C)=O)C(C)C.
What is the InChIKey of (4-acetyloxy-5-methylhex-1-en-3-yl) acetate?
The InChIKey is YUNSCUUKTFWZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-6-10(14-8(4)12)11(7(2)3)15-9(5)13/h6-7,10-11H,1H2,2-5H3.
What are the key properties of (4-acetyloxy-5-methylhex-1-en-3-yl) acetate?
(4-acetyloxy-5-methylhex-1-en-3-yl) acetate has a molecular weight of 214.26 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-5-methylhex-1-en-3-yl) acetate is sourced from PubChem (CID 123347745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).