ethyl 2-(2-methylpent-2-en-3-yloxy)acetate

C10H18O3 — CID 134932616

IUPACethyl 2-(2-methylpent-2-en-3-yloxy)acetate
SMILESCCOC(=O)COC(CC)=C(C)C
InChIInChI=1S/C10H18O3/c1-5-9(8(3)4)13-7-10(11)12-6-2/h5-7H2,1-4H3
InChIKeyZBTUZIYERBKFHK-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.27
Rot. Bonds5

About ethyl 2-(2-methylpent-2-en-3-yloxy)acetate

ethyl 2-(2-methylpent-2-en-3-yloxy)acetate (PubChem CID 134932616) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-(2-methylpent-2-en-3-yloxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylpent-2-en-3-yloxy)acetate
PubChem CID134932616
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl 2-(2-methylpent-2-en-3-yloxy)acetate
SMILESCCOC(=O)COC(CC)=C(C)C
InChIInChI=1S/C10H18O3/c1-5-9(8(3)4)13-7-10(11)12-6-2/h5-7H2,1-4H3
InChIKeyZBTUZIYERBKFHK-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(E)-pent-2-en-2-yl]oxyacetate
CID 134931946
ethyl 2-[(E)-4-methylpent-2-en-2-yl]oxyacetate
CID 134985761
Ethyl 2-(3-methylbut-2-en-2-yloxy)acetate
CID 134985824
ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate
CID 134985860
Ethyl 2-acetyloxy-3-methylpent-2-enoate
CID 54426993
3-Methylbut-2-en-2-yl 2-methoxyacetate
CID 88461073
ethyl (Z)-2-acetyloxy-3-methylpent-2-enoate
CID 88778726
3,4-Dimethylhex-3-enyl 2-methoxyacetate
CID 91347274
5,6-Diethyl-1,4-dioxine-2,3-dione;ethane
CID 145154471

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpent-2-en-3-yloxy)acetate?
The IUPAC name of ethyl 2-(2-methylpent-2-en-3-yloxy)acetate (CID 134932616) is ethyl 2-(2-methylpent-2-en-3-yloxy)acetate.
What is the SMILES notation for ethyl 2-(2-methylpent-2-en-3-yloxy)acetate?
The canonical SMILES for ethyl 2-(2-methylpent-2-en-3-yloxy)acetate is CCOC(=O)COC(CC)=C(C)C.
What is the InChIKey of ethyl 2-(2-methylpent-2-en-3-yloxy)acetate?
The InChIKey is ZBTUZIYERBKFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-9(8(3)4)13-7-10(11)12-6-2/h5-7H2,1-4H3.
What are the key properties of ethyl 2-(2-methylpent-2-en-3-yloxy)acetate?
ethyl 2-(2-methylpent-2-en-3-yloxy)acetate has a molecular weight of 186.25 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylpent-2-en-3-yloxy)acetate is sourced from PubChem (CID 134932616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).