methyl 2-ethyl-2-methylpent-4-enoate

C9H16O2 — CID 14714437

IUPACmethyl 2-ethyl-2-methylpent-4-enoate
SMILESC=CCC(C)(CC)C(=O)OC
InChIInChI=1S/C9H16O2/c1-5-7-9(3,6-2)8(10)11-4/h5H,1,6-7H2,2-4H3
InChIKeyLDSVOGQAMOSUJU-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.15
Rot. Bonds4

About methyl 2-ethyl-2-methylpent-4-enoate

methyl 2-ethyl-2-methylpent-4-enoate (PubChem CID 14714437) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is methyl 2-ethyl-2-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-2-methylpent-4-enoate
PubChem CID14714437
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namemethyl 2-ethyl-2-methylpent-4-enoate
SMILESC=CCC(C)(CC)C(=O)OC
InChIInChI=1S/C9H16O2/c1-5-7-9(3,6-2)8(10)11-4/h5H,1,6-7H2,2-4H3
InChIKeyLDSVOGQAMOSUJU-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(hydroxymethyl)-2-methylpent-4-enoate
CID 18728417
methyl (2S)-2-amino-2-methylpent-4-enoate
CID 10261200
methyl 2-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 10658806
methyl (2S)-2-ethyl-2-propylpent-4-enoate
CID 642266
1-O-but-3-enyl 5-O-methyl 4-ethyl-2,2,4-trimethylpentanedioate
CID 58112337
tetramethyl (6E)-dodeca-1,6,11-triene-3,3,8,8-tetracarboxylate
CID 11349994
1-hydroxypropyl 2-methyl-2-prop-2-enylpent-4-enoate
CID 174488664
methyl (2S)-2-(aziridin-1-yl)-2-methylpent-4-enoate
CID 163655825
methyl 2-ethyl-2-(nitromethyl)pent-4-enoate
CID 12936805
methyl 2-methyl-2-(1,2,2-trifluoroethyl)pent-4-enoate
CID 138473241
dimethyl 2-(2-oxopropyl)-2-prop-2-enylpropanedioate
CID 46895391
methyl (2S)-2-ethyl-2-methyl-3-oxobutanoate
CID 131227877

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-2-methylpent-4-enoate?
The IUPAC name of methyl 2-ethyl-2-methylpent-4-enoate (CID 14714437) is methyl 2-ethyl-2-methylpent-4-enoate.
What is the SMILES notation for methyl 2-ethyl-2-methylpent-4-enoate?
The canonical SMILES for methyl 2-ethyl-2-methylpent-4-enoate is C=CCC(C)(CC)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-2-methylpent-4-enoate?
The InChIKey is LDSVOGQAMOSUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-7-9(3,6-2)8(10)11-4/h5H,1,6-7H2,2-4H3.
What are the key properties of methyl 2-ethyl-2-methylpent-4-enoate?
methyl 2-ethyl-2-methylpent-4-enoate has a molecular weight of 156.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-2-methylpent-4-enoate is sourced from PubChem (CID 14714437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).