3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one

C10H14O2 — CID 10773371

IUPAC3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)C1CC(=C(C)C)C(=O)O1
InChIInChI=1S/C10H14O2/c1-6(2)8-5-9(7(3)4)12-10(8)11/h9H,3,5H2,1-2,4H3
InChIKeyZCQIKHIFOOMBBR-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds1

About 3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one

3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one (PubChem CID 10773371) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one.

Molecular Properties

Compound Name3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one
PubChem CID10773371
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)C1CC(=C(C)C)C(=O)O1
InChIInChI=1S/C10H14O2/c1-6(2)8-5-9(7(3)4)12-10(8)11/h9H,3,5H2,1-2,4H3
InChIKeyZCQIKHIFOOMBBR-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.21
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'}

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Related Compounds

3-Butyl-4-methyl-furan-2(5h)-one
CID 14616858
(3E,5S)-3-[(E)-4-methyl-7-(5-oxo-2H-furan-3-yl)hept-4-enylidene]-5-(2-methylprop-1-enyl)tetrahydrofuran-2-one
CID 44179724
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
5-Ethyl-3-methylene-dihydro-furan-2-one
CID 10725353
Manshurolide
CID 14527198
(3E,5S)-5-(2-methylprop-1-enyl)-3-(4-oxopentylidene)tetrahydrofuran-2-one
CID 44179793
3-butyl-2(5H)-furanone
CID 11768654
5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219
Berkedienolactone
CID 57379199
(3E,5S)-5-methyl-3-tetradecylideneoxolan-2-one
CID 142746549
(2S,3Z,7S)-3,7-dimethyl-2-[(3-methyl-5-oxo-2H-furan-4-yl)methyl]-2,5,6,7-tetrahydrooxocin-8-one
CID 145954038
Neo-aristolactone
CID 5315198

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one?
The IUPAC name of 3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one (CID 10773371) is 3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one.
What is the SMILES notation for 3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one?
The canonical SMILES for 3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one is C=C(C)C1CC(=C(C)C)C(=O)O1.
What is the InChIKey of 3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one?
The InChIKey is ZCQIKHIFOOMBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6(2)8-5-9(7(3)4)12-10(8)11/h9H,3,5H2,1-2,4H3.
What are the key properties of 3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one?
3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one is sourced from PubChem (CID 10773371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).