methyl (E)-2-propylpent-2-enoate

C9H16O2 — CID 10241045

IUPACmethyl (E)-2-propylpent-2-enoate
SMILESCC/C=C(\CCC)C(=O)OC
InChIInChI=1S/C9H16O2/c1-4-6-8(7-5-2)9(10)11-3/h6H,4-5,7H2,1-3H3/b8-6+
InChIKeyHSEARQSRPMUTTB-SOFGYWHQSA-N
MW156.22 g/mol
LogP2.30
Rot. Bonds4

About methyl (E)-2-propylpent-2-enoate

methyl (E)-2-propylpent-2-enoate (PubChem CID 10241045) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is methyl (E)-2-propylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-propylpent-2-enoate
PubChem CID10241045
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namemethyl (E)-2-propylpent-2-enoate
SMILESCC/C=C(\CCC)C(=O)OC
InChIInChI=1S/C9H16O2/c1-4-6-8(7-5-2)9(10)11-3/h6H,4-5,7H2,1-3H3/b8-6+
InChIKeyHSEARQSRPMUTTB-SOFGYWHQSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (E)-2-propylpent-2-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 methyl (E)-2-propylpent-2-enoate?
The IUPAC name of methyl (E)-2-propylpent-2-enoate (CID 10241045) is methyl (E)-2-propylpent-2-enoate.
What is the SMILES notation for methyl (E)-2-propylpent-2-enoate?
The canonical SMILES for methyl (E)-2-propylpent-2-enoate is CC/C=C(\CCC)C(=O)OC.
What is the InChIKey of methyl (E)-2-propylpent-2-enoate?
The InChIKey is HSEARQSRPMUTTB-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-6-8(7-5-2)9(10)11-3/h6H,4-5,7H2,1-3H3/b8-6+.
What are the key properties of methyl (E)-2-propylpent-2-enoate?
methyl (E)-2-propylpent-2-enoate has a molecular weight of 156.22 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-propylpent-2-enoate is sourced from PubChem (CID 10241045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).