methyl (E)-6-acetyloxy-4-methylhex-4-enoate

C10H16O4 — CID 10878162

IUPACmethyl (E)-6-acetyloxy-4-methylhex-4-enoate
SMILESCOC(=O)CC/C(C)=C/COC(C)=O
InChIInChI=1S/C10H16O4/c1-8(4-5-10(12)13-3)6-7-14-9(2)11/h6H,4-5,7H2,1-3H3/b8-6+
InChIKeyVEIGMDLDXCVTKP-SOFGYWHQSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds5

About methyl (E)-6-acetyloxy-4-methylhex-4-enoate

methyl (E)-6-acetyloxy-4-methylhex-4-enoate (PubChem CID 10878162) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (E)-6-acetyloxy-4-methylhex-4-enoate.

Molecular Properties

Compound Namemethyl (E)-6-acetyloxy-4-methylhex-4-enoate
PubChem CID10878162
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (E)-6-acetyloxy-4-methylhex-4-enoate
SMILESCOC(=O)CC/C(C)=C/COC(C)=O
InChIInChI=1S/C10H16O4/c1-8(4-5-10(12)13-3)6-7-14-9(2)11/h6H,4-5,7H2,1-3H3/b8-6+
InChIKeyVEIGMDLDXCVTKP-SOFGYWHQSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
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

methyl (E)-6-hydroxy-4-methylhex-4-enoate
CID 5362872
methyl (2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoate
CID 6536858
[(E)-3-methyl-7-oxooct-2-enyl] acetate
CID 11019848
methyl 4-methylocta-4,7-dienoate
CID 54283285
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
[(Z)-3-methoxybut-2-enyl] acetate
CID 135086169
methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
CID 11680207
methyl 4-methylnona-4,8-dienoate
CID 71333092
[(E)-3-methylundec-2-enyl] acetate
CID 161431126
dimethyl (E)-3-methylhex-2-enedioate
CID 134916664
[(E)-5-[(2S)-3,3-dimethylaziridin-2-yl]-3-methylpent-2-enyl] acetate
CID 99770169
[5-(3,3-dimethylaziridin-2-yl)-3-methylpent-2-enyl] acetate
CID 118210858

Frequently Asked Questions

What is the IUPAC name of methyl (E)-6-acetyloxy-4-methylhex-4-enoate?
The IUPAC name of methyl (E)-6-acetyloxy-4-methylhex-4-enoate (CID 10878162) is methyl (E)-6-acetyloxy-4-methylhex-4-enoate.
What is the SMILES notation for methyl (E)-6-acetyloxy-4-methylhex-4-enoate?
The canonical SMILES for methyl (E)-6-acetyloxy-4-methylhex-4-enoate is COC(=O)CC/C(C)=C/COC(C)=O.
What is the InChIKey of methyl (E)-6-acetyloxy-4-methylhex-4-enoate?
The InChIKey is VEIGMDLDXCVTKP-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(4-5-10(12)13-3)6-7-14-9(2)11/h6H,4-5,7H2,1-3H3/b8-6+.
What are the key properties of methyl (E)-6-acetyloxy-4-methylhex-4-enoate?
methyl (E)-6-acetyloxy-4-methylhex-4-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-6-acetyloxy-4-methylhex-4-enoate is sourced from PubChem (CID 10878162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).