4-methylpent-4-en-2-yl prop-2-enoate

C9H14O2 — CID 102248237

IUPAC4-methylpent-4-en-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC(=C)C
InChIInChI=1S/C9H14O2/c1-5-9(10)11-8(4)6-7(2)3/h5,8H,1-2,6H2,3-4H3
InChIKeyBDTCRRVTROVHGF-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.07
Rot. Bonds4

About 4-methylpent-4-en-2-yl prop-2-enoate

4-methylpent-4-en-2-yl prop-2-enoate (PubChem CID 102248237) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methylpent-4-en-2-yl prop-2-enoate.

Molecular Properties

Compound Name4-methylpent-4-en-2-yl prop-2-enoate
PubChem CID102248237
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-methylpent-4-en-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC(=C)C
InChIInChI=1S/C9H14O2/c1-5-9(10)11-8(4)6-7(2)3/h5,8H,1-2,6H2,3-4H3
InChIKeyBDTCRRVTROVHGF-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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 4-methylpent-4-en-2-yl prop-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

Related Compounds

6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 172734708
CID 172734708
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
5-methylhexan-2-yl prop-2-enoate
CID 151222941
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
butyl 3-prop-2-enoyloxybutanoate
CID 90254320
2-prop-2-enoyloxypropyl 3-methylbutanoate
CID 170544082
sodium 4-oxobutan-2-yl prop-2-enoate
CID 161109002
4-prop-2-enoyloxypentanoic acid
CID 87568780
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043
3,5-dioxohexan-2-yl prop-2-enoate
CID 20532556
2-methylidene-5-prop-2-enoyloxyhexanoic acid
CID 87125113

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-4-en-2-yl prop-2-enoate?
The IUPAC name of 4-methylpent-4-en-2-yl prop-2-enoate (CID 102248237) is 4-methylpent-4-en-2-yl prop-2-enoate.
What is the SMILES notation for 4-methylpent-4-en-2-yl prop-2-enoate?
The canonical SMILES for 4-methylpent-4-en-2-yl prop-2-enoate is C=CC(=O)OC(C)CC(=C)C.
What is the InChIKey of 4-methylpent-4-en-2-yl prop-2-enoate?
The InChIKey is BDTCRRVTROVHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-9(10)11-8(4)6-7(2)3/h5,8H,1-2,6H2,3-4H3.
What are the key properties of 4-methylpent-4-en-2-yl prop-2-enoate?
4-methylpent-4-en-2-yl prop-2-enoate has a molecular weight of 154.21 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-4-en-2-yl prop-2-enoate is sourced from PubChem (CID 102248237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).