2-methylbutyl (E)-3-methylpent-2-enoate

C11H20O2 — CID 11321355

IUPAC2-methylbutyl (E)-3-methylpent-2-enoate
SMILESCC/C(C)=C/C(=O)OCC(C)CC
InChIInChI=1S/C11H20O2/c1-5-9(3)7-11(12)13-8-10(4)6-2/h7,10H,5-6,8H2,1-4H3/b9-7+
InChIKeyOZMQXHKRUVTESQ-VQHVLOKHSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds5

About 2-methylbutyl (E)-3-methylpent-2-enoate

2-methylbutyl (E)-3-methylpent-2-enoate (PubChem CID 11321355) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methylbutyl (E)-3-methylpent-2-enoate.

Molecular Properties

Compound Name2-methylbutyl (E)-3-methylpent-2-enoate
PubChem CID11321355
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methylbutyl (E)-3-methylpent-2-enoate
SMILESCC/C(C)=C/C(=O)OCC(C)CC
InChIInChI=1S/C11H20O2/c1-5-9(3)7-11(12)13-8-10(4)6-2/h7,10H,5-6,8H2,1-4H3/b9-7+
InChIKeyOZMQXHKRUVTESQ-VQHVLOKHSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 3-methylpent-2-enoate
CID 72951804
2-methylbutyl acetate
CID 90958828
methane;2-methylbutyl acetate
CID 160631044
methyl (Z)-3-methylpent-2-enoate
CID 12524083
[(2R)-2-methylbutyl] (Z)-2-methylbut-2-enoate
CID 92973620
2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate
CID 139836551
trimethylsilyl (E)-3-methylpent-2-enoate
CID 10012676
2-methylbutyl 2-methylidenebutanoate
CID 57090354
2-methyl-1-prop-1-en-2-yloxybutane
CID 123339026
2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
2-methylbutyl 2-aminooxypropanoate
CID 178072336
2-methylbutyl N-propylcarbamate
CID 127538020

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl (E)-3-methylpent-2-enoate?
The IUPAC name of 2-methylbutyl (E)-3-methylpent-2-enoate (CID 11321355) is 2-methylbutyl (E)-3-methylpent-2-enoate.
What is the SMILES notation for 2-methylbutyl (E)-3-methylpent-2-enoate?
The canonical SMILES for 2-methylbutyl (E)-3-methylpent-2-enoate is CC/C(C)=C/C(=O)OCC(C)CC.
What is the InChIKey of 2-methylbutyl (E)-3-methylpent-2-enoate?
The InChIKey is OZMQXHKRUVTESQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-9(3)7-11(12)13-8-10(4)6-2/h7,10H,5-6,8H2,1-4H3/b9-7+.
What are the key properties of 2-methylbutyl (E)-3-methylpent-2-enoate?
2-methylbutyl (E)-3-methylpent-2-enoate has a molecular weight of 184.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl (E)-3-methylpent-2-enoate is sourced from PubChem (CID 11321355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).