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

C9H14O2 — CID 86109365

IUPACmethyl 2-ethenyl-4-methylpent-4-enoate
SMILESC=CC(CC(=C)C)C(=O)OC
InChIInChI=1S/C9H14O2/c1-5-8(6-7(2)3)9(10)11-4/h5,8H,1-2,6H2,3-4H3
InChIKeySXJAVSGFCOKWGT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.93
Rot. Bonds4

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

methyl 2-ethenyl-4-methylpent-4-enoate (PubChem CID 86109365) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl 2-ethenyl-4-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-ethenyl-4-methylpent-4-enoate
PubChem CID86109365
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl 2-ethenyl-4-methylpent-4-enoate
SMILESC=CC(CC(=C)C)C(=O)OC
InChIInChI=1S/C9H14O2/c1-5-8(6-7(2)3)9(10)11-4/h5,8H,1-2,6H2,3-4H3
InChIKeySXJAVSGFCOKWGT-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-4-methylpent-4-enoate?
The IUPAC name of methyl 2-ethenyl-4-methylpent-4-enoate (CID 86109365) is methyl 2-ethenyl-4-methylpent-4-enoate.
What is the SMILES notation for methyl 2-ethenyl-4-methylpent-4-enoate?
The canonical SMILES for methyl 2-ethenyl-4-methylpent-4-enoate is C=CC(CC(=C)C)C(=O)OC.
What is the InChIKey of methyl 2-ethenyl-4-methylpent-4-enoate?
The InChIKey is SXJAVSGFCOKWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-8(6-7(2)3)9(10)11-4/h5,8H,1-2,6H2,3-4H3.
What are the key properties of methyl 2-ethenyl-4-methylpent-4-enoate?
methyl 2-ethenyl-4-methylpent-4-enoate has a molecular weight of 154.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-4-methylpent-4-enoate is sourced from PubChem (CID 86109365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).