ethyl 2-(4-methylpent-1-en-2-yloxy)acetate

C10H18O3 — CID 134985855

IUPACethyl 2-(4-methylpent-1-en-2-yloxy)acetate
SMILESC=C(CC(C)C)OCC(=O)OCC
InChIInChI=1S/C10H18O3/c1-5-12-10(11)7-13-9(4)6-8(2)3/h8H,4-7H2,1-3H3
InChIKeyDXKCFEHKFLNQDE-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.13
Rot. Bonds6

About ethyl 2-(4-methylpent-1-en-2-yloxy)acetate

ethyl 2-(4-methylpent-1-en-2-yloxy)acetate (PubChem CID 134985855) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-(4-methylpent-1-en-2-yloxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methylpent-1-en-2-yloxy)acetate
PubChem CID134985855
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl 2-(4-methylpent-1-en-2-yloxy)acetate
SMILESC=C(CC(C)C)OCC(=O)OCC
InChIInChI=1S/C10H18O3/c1-5-12-10(11)7-13-9(4)6-8(2)3/h8H,4-7H2,1-3H3
InChIKeyDXKCFEHKFLNQDE-UHFFFAOYSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(4-methylpent-1-en-2-yloxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-Trifluoroethyl 2-(3-methylpent-1-en-2-yloxy)acetate
CID 59267059
Ethyl [(3-methylbut-1-en-2-yl)oxy]acetate
CID 15560825
Ethyl 2-but-1-en-2-yloxyacetate
CID 134932615
Ethyl 2-pent-1-en-2-yloxyacetate
CID 134932728
Buten-2-yl(3-methylbutoxy)acetate
CID 20839562
3-(3-Methylpent-1-en-2-yloxy)oxolan-2-one
CID 58372376
Tert-butyl 2-(3,3-dimethylpent-1-en-2-yloxy)acetate
CID 87159468
2,3-Dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate
CID 88961771
methyl (2S)-3-methyl-2-pent-4-enoxybutanoate
CID 118176168
Methyl 3-methyl-2-pent-4-enoxybutanoate
CID 123387015
Methyl 2-(2-methylpent-4-enoxy)propanoate
CID 140254776
Ethyl 2-ethoxy-3-methylpent-4-enoate
CID 174276089

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylpent-1-en-2-yloxy)acetate?
The IUPAC name of ethyl 2-(4-methylpent-1-en-2-yloxy)acetate (CID 134985855) is ethyl 2-(4-methylpent-1-en-2-yloxy)acetate.
What is the SMILES notation for ethyl 2-(4-methylpent-1-en-2-yloxy)acetate?
The canonical SMILES for ethyl 2-(4-methylpent-1-en-2-yloxy)acetate is C=C(CC(C)C)OCC(=O)OCC.
What is the InChIKey of ethyl 2-(4-methylpent-1-en-2-yloxy)acetate?
The InChIKey is DXKCFEHKFLNQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-12-10(11)7-13-9(4)6-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(4-methylpent-1-en-2-yloxy)acetate?
ethyl 2-(4-methylpent-1-en-2-yloxy)acetate has a molecular weight of 186.25 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylpent-1-en-2-yloxy)acetate is sourced from PubChem (CID 134985855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).