ethyl 4-methyl-2-propan-2-ylpent-4-enoate

C11H20O2 — CID 11063087

IUPACethyl 4-methyl-2-propan-2-ylpent-4-enoate
SMILESC=C(C)CC(C(=O)OCC)C(C)C
InChIInChI=1S/C11H20O2/c1-6-13-11(12)10(9(4)5)7-8(2)3/h9-10H,2,6-7H2,1,3-5H3
InChIKeyICYVDXYTKHAYIO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.79
Rot. Bonds5

About ethyl 4-methyl-2-propan-2-ylpent-4-enoate

ethyl 4-methyl-2-propan-2-ylpent-4-enoate (PubChem CID 11063087) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is ethyl 4-methyl-2-propan-2-ylpent-4-enoate.

Molecular Properties

Compound Nameethyl 4-methyl-2-propan-2-ylpent-4-enoate
PubChem CID11063087
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameethyl 4-methyl-2-propan-2-ylpent-4-enoate
SMILESC=C(C)CC(C(=O)OCC)C(C)C
InChIInChI=1S/C11H20O2/c1-6-13-11(12)10(9(4)5)7-8(2)3/h9-10H,2,6-7H2,1,3-5H3
InChIKeyICYVDXYTKHAYIO-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 4-methyl-2-propan-2-ylpent-4-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-propan-2-ylpent-4-enoate?
The IUPAC name of ethyl 4-methyl-2-propan-2-ylpent-4-enoate (CID 11063087) is ethyl 4-methyl-2-propan-2-ylpent-4-enoate.
What is the SMILES notation for ethyl 4-methyl-2-propan-2-ylpent-4-enoate?
The canonical SMILES for ethyl 4-methyl-2-propan-2-ylpent-4-enoate is C=C(C)CC(C(=O)OCC)C(C)C.
What is the InChIKey of ethyl 4-methyl-2-propan-2-ylpent-4-enoate?
The InChIKey is ICYVDXYTKHAYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-13-11(12)10(9(4)5)7-8(2)3/h9-10H,2,6-7H2,1,3-5H3.
What are the key properties of ethyl 4-methyl-2-propan-2-ylpent-4-enoate?
ethyl 4-methyl-2-propan-2-ylpent-4-enoate has a molecular weight of 184.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-propan-2-ylpent-4-enoate is sourced from PubChem (CID 11063087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).