methyl 2-ethenyl-3-methylpent-4-enoate

C9H14O2 — CID 143849017

IUPACmethyl 2-ethenyl-3-methylpent-4-enoate
SMILESC=CC(C)C(C=C)C(=O)OC
InChIInChI=1S/C9H14O2/c1-5-7(3)8(6-2)9(10)11-4/h5-8H,1-2H2,3-4H3
InChIKeyGUDOOXYUXLVMSW-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.78
Rot. Bonds4

About methyl 2-ethenyl-3-methylpent-4-enoate

methyl 2-ethenyl-3-methylpent-4-enoate (PubChem CID 143849017) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl 2-ethenyl-3-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-ethenyl-3-methylpent-4-enoate
PubChem CID143849017
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl 2-ethenyl-3-methylpent-4-enoate
SMILESC=CC(C)C(C=C)C(=O)OC
InChIInChI=1S/C9H14O2/c1-5-7(3)8(6-2)9(10)11-4/h5-8H,1-2H2,3-4H3
InChIKeyGUDOOXYUXLVMSW-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.78
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 (2S,3R)-2,3-dimethylpent-4-enoate
CID 13148875
trimethyl (2S)-2-methylpent-4-ene-1,1,3-tricarboxylate
CID 132566153
methyl 2-amino-3-methylpent-4-enoate
CID 15609996
dimethyl 2-[(4E)-4-methylhexa-1,4-dien-3-yl]propanedioate
CID 22986731
methyl 3-hydroxy-2-methylpent-4-enoate
CID 15936058
methyl (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 130664858
methyl 2-[1-(4-methoxyanilino)ethyl]but-3-enoate
CID 11543326
methyl 2-ethenyl-4-methylpentanoate
CID 143585264
methyl 2-ethenyl-3-hydroxy-6-oxononanoate
CID 11042485
2-(1-methoxyethyl)but-3-enoic acid
CID 20505768
2-propan-2-ylbut-3-enamide
CID 147296462
ethyl 2,3-dimethylpent-4-enoate
CID 13254527

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-3-methylpent-4-enoate?
The IUPAC name of methyl 2-ethenyl-3-methylpent-4-enoate (CID 143849017) is methyl 2-ethenyl-3-methylpent-4-enoate.
What is the SMILES notation for methyl 2-ethenyl-3-methylpent-4-enoate?
The canonical SMILES for methyl 2-ethenyl-3-methylpent-4-enoate is C=CC(C)C(C=C)C(=O)OC.
What is the InChIKey of methyl 2-ethenyl-3-methylpent-4-enoate?
The InChIKey is GUDOOXYUXLVMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-7(3)8(6-2)9(10)11-4/h5-8H,1-2H2,3-4H3.
What are the key properties of methyl 2-ethenyl-3-methylpent-4-enoate?
methyl 2-ethenyl-3-methylpent-4-enoate has a molecular weight of 154.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-3-methylpent-4-enoate is sourced from PubChem (CID 143849017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).