prop-2-enyl 2-methylidenehexanoate

C10H16O2 — CID 12684715

IUPACprop-2-enyl 2-methylidenehexanoate
SMILESC=CCOC(=O)C(=C)CCCC
InChIInChI=1S/C10H16O2/c1-4-6-7-9(3)10(11)12-8-5-2/h5H,2-4,6-8H2,1H3
InChIKeyFHKZUWQUIJFVSQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds6

About prop-2-enyl 2-methylidenehexanoate

prop-2-enyl 2-methylidenehexanoate (PubChem CID 12684715) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is prop-2-enyl 2-methylidenehexanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-methylidenehexanoate
PubChem CID12684715
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameprop-2-enyl 2-methylidenehexanoate
SMILESC=CCOC(=O)C(=C)CCCC
InChIInChI=1S/C10H16O2/c1-4-6-7-9(3)10(11)12-8-5-2/h5H,2-4,6-8H2,1H3
InChIKeyFHKZUWQUIJFVSQ-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-methylidenehexanoate 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 prop-2-enyl 2-methylidenehexanoate?
The IUPAC name of prop-2-enyl 2-methylidenehexanoate (CID 12684715) is prop-2-enyl 2-methylidenehexanoate.
What is the SMILES notation for prop-2-enyl 2-methylidenehexanoate?
The canonical SMILES for prop-2-enyl 2-methylidenehexanoate is C=CCOC(=O)C(=C)CCCC.
What is the InChIKey of prop-2-enyl 2-methylidenehexanoate?
The InChIKey is FHKZUWQUIJFVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-7-9(3)10(11)12-8-5-2/h5H,2-4,6-8H2,1H3.
What are the key properties of prop-2-enyl 2-methylidenehexanoate?
prop-2-enyl 2-methylidenehexanoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-methylidenehexanoate is sourced from PubChem (CID 12684715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).