5-but-3-enyl-2-prop-2-enyloxolan-3-one

C11H16O2 — CID 135042230

IUPAC5-but-3-enyl-2-prop-2-enyloxolan-3-one
SMILESC=CCCC1CC(=O)C(CC=C)O1
InChIInChI=1S/C11H16O2/c1-3-5-7-9-8-10(12)11(13-9)6-4-2/h3-4,9,11H,1-2,5-8H2
InChIKeyZBSMCHNVEVAKCL-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.26
Rot. Bonds5

About 5-but-3-enyl-2-prop-2-enyloxolan-3-one

5-but-3-enyl-2-prop-2-enyloxolan-3-one (PubChem CID 135042230) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-but-3-enyl-2-prop-2-enyloxolan-3-one.

Molecular Properties

Compound Name5-but-3-enyl-2-prop-2-enyloxolan-3-one
PubChem CID135042230
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-but-3-enyl-2-prop-2-enyloxolan-3-one
SMILESC=CCCC1CC(=O)C(CC=C)O1
InChIInChI=1S/C11H16O2/c1-3-5-7-9-8-10(12)11(13-9)6-4-2/h3-4,9,11H,1-2,5-8H2
InChIKeyZBSMCHNVEVAKCL-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-but-3-enyl-2-prop-2-enyloxolan-3-one 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

2-(Prop-2-en-1-yl)oxolan-3-one
CID 13664561
1-(Oxolan-2-yl)pent-4-en-1-one
CID 12704401
(2S,5S)-2-prop-2-enyl-5-propyloxolan-3-one
CID 121242267
2-Prop-2-enyloxocan-3-one
CID 130030905
5-Pentyl-2-prop-2-enyloxolan-3-one
CID 135023370
5-(2-Methylpropyl)-2-prop-2-enyloxolan-3-one
CID 135042256
2-Pent-4-enyloxolan-3-one
CID 145994577
(2S,5R)-5-dec-9-enoyl-2-pentyloxolan-3-one
CID 21592066
(2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one
CID 53475023
1-(Oxolan-2-yl)but-3-en-1-one
CID 65330954
2,5-Bis(prop-2-enyl)oxolan-3-one
CID 70522629
1-[(2R)-oxan-2-yl]pent-4-en-1-one
CID 89049858

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-2-prop-2-enyloxolan-3-one?
The IUPAC name of 5-but-3-enyl-2-prop-2-enyloxolan-3-one (CID 135042230) is 5-but-3-enyl-2-prop-2-enyloxolan-3-one.
What is the SMILES notation for 5-but-3-enyl-2-prop-2-enyloxolan-3-one?
The canonical SMILES for 5-but-3-enyl-2-prop-2-enyloxolan-3-one is C=CCCC1CC(=O)C(CC=C)O1.
What is the InChIKey of 5-but-3-enyl-2-prop-2-enyloxolan-3-one?
The InChIKey is ZBSMCHNVEVAKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-5-7-9-8-10(12)11(13-9)6-4-2/h3-4,9,11H,1-2,5-8H2.
What are the key properties of 5-but-3-enyl-2-prop-2-enyloxolan-3-one?
5-but-3-enyl-2-prop-2-enyloxolan-3-one has a molecular weight of 180.25 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2-prop-2-enyloxolan-3-one is sourced from PubChem (CID 135042230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).