2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate

C11H20O3 — CID 88559833

IUPAC2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate
SMILESCOCCOC(=O)C(C)/C=C\C(C)C
InChIInChI=1S/C11H20O3/c1-9(2)5-6-10(3)11(12)14-8-7-13-4/h5-6,9-10H,7-8H2,1-4H3/b6-5-
InChIKeyBNROAWISEBGLPX-WAYWQWQTSA-N
MW200.28 g/mol
LogP2.02
Rot. Bonds6

About 2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate

2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate (PubChem CID 88559833) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate.

Molecular Properties

Compound Name2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate
PubChem CID88559833
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate
SMILESCOCCOC(=O)C(C)/C=C\C(C)C
InChIInChI=1S/C11H20O3/c1-9(2)5-6-10(3)11(12)14-8-7-13-4/h5-6,9-10H,7-8H2,1-4H3/b6-5-
InChIKeyBNROAWISEBGLPX-WAYWQWQTSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethyl (Z)-2,5-dimethylhex-3-enoate
CID 88559844
2-methoxyethyl 3-methyl-2-sulfanylbutanoate
CID 107018500
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
2-methoxyethyl 2-amino-3-hydroxybutanoate
CID 61279925
2-methoxyethyl 2,4-dimethylpentanoate
CID 142740017
2,5-dimethylhex-3-enoic acid
CID 86132699
2-methoxyethyl 2-amino-4-oxopentanoate
CID 58554581
2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate
CID 76614530
bis(5-methoxy-3-methylpentyl) (E)-but-2-enedioate
CID 91705591
bis(4-methoxybutyl) 2,3-dimethylbutanedioate
CID 101278780
2-methoxyethyl 3-amino-2-hydroxypropanoate
CID 66165602
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate?
The IUPAC name of 2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate (CID 88559833) is 2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate.
What is the SMILES notation for 2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate?
The canonical SMILES for 2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate is COCCOC(=O)C(C)/C=C\C(C)C.
What is the InChIKey of 2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate?
The InChIKey is BNROAWISEBGLPX-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(2)5-6-10(3)11(12)14-8-7-13-4/h5-6,9-10H,7-8H2,1-4H3/b6-5-.
What are the key properties of 2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate?
2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate is sourced from PubChem (CID 88559833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).