2-methoxyethyl 2-propan-2-ylpent-2-enoate

C11H20O3 — CID 54402624

IUPAC2-methoxyethyl 2-propan-2-ylpent-2-enoate
SMILESCCC=C(C(=O)OCCOC)C(C)C
InChIInChI=1S/C11H20O3/c1-5-6-10(9(2)3)11(12)14-8-7-13-4/h6,9H,5,7-8H2,1-4H3
InChIKeyVOMUJIWTQJBWMY-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.17
Rot. Bonds6

About 2-methoxyethyl 2-propan-2-ylpent-2-enoate

2-methoxyethyl 2-propan-2-ylpent-2-enoate (PubChem CID 54402624) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methoxyethyl 2-propan-2-ylpent-2-enoate.

Molecular Properties

Compound Name2-methoxyethyl 2-propan-2-ylpent-2-enoate
PubChem CID54402624
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-methoxyethyl 2-propan-2-ylpent-2-enoate
SMILESCCC=C(C(=O)OCCOC)C(C)C
InChIInChI=1S/C11H20O3/c1-5-6-10(9(2)3)11(12)14-8-7-13-4/h6,9H,5,7-8H2,1-4H3
InChIKeyVOMUJIWTQJBWMY-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methoxyethyl 2-propan-2-ylpent-2-enoate 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

methyl (E)-2-propan-2-ylpent-2-enoate
CID 10441923
methyl 2-(1-aminoethyl)pent-2-enoate
CID 173355161
propyl 2-(chloromethylidene)-3-methylbutanoate
CID 173321459
2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate
CID 11107965
2-methoxyethyl 3-amino-2-oxopentanoate
CID 141214203
bis(2-methoxyethyl) (E)-2,3-dibromobut-2-enedioate
CID 11811204
ethyl (2E)-3-methyl-2-(methylsulfanylmethylidene)butanoate
CID 15656485
N-(2-methoxyethoxy)-2-methylpropanamide
CID 58861228
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
2-methoxyethyl 2-ethylidenepent-3-enoate
CID 123997768
carbamoyl 2-methylpent-2-eneperoxoate
CID 173435442
2-hydroxyethyl 2-methylpent-2-enoate
CID 137318053

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-propan-2-ylpent-2-enoate?
The IUPAC name of 2-methoxyethyl 2-propan-2-ylpent-2-enoate (CID 54402624) is 2-methoxyethyl 2-propan-2-ylpent-2-enoate.
What is the SMILES notation for 2-methoxyethyl 2-propan-2-ylpent-2-enoate?
The canonical SMILES for 2-methoxyethyl 2-propan-2-ylpent-2-enoate is CCC=C(C(=O)OCCOC)C(C)C.
What is the InChIKey of 2-methoxyethyl 2-propan-2-ylpent-2-enoate?
The InChIKey is VOMUJIWTQJBWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-6-10(9(2)3)11(12)14-8-7-13-4/h6,9H,5,7-8H2,1-4H3.
What are the key properties of 2-methoxyethyl 2-propan-2-ylpent-2-enoate?
2-methoxyethyl 2-propan-2-ylpent-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-propan-2-ylpent-2-enoate is sourced from PubChem (CID 54402624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).