3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione

C12H18O3 — CID 129141059

IUPAC3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione
SMILESC=CC(CC)C1C(=O)OC(=O)C1C(C)C
InChIInChI=1S/C12H18O3/c1-5-8(6-2)10-9(7(3)4)11(13)15-12(10)14/h5,7-10H,1,6H2,2-4H3
InChIKeyGRDGGZHRMBKTQF-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.17
Rot. Bonds4

About 3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione

3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione (PubChem CID 129141059) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione.

Molecular Properties

Compound Name3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione
PubChem CID129141059
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione
SMILESC=CC(CC)C1C(=O)OC(=O)C1C(C)C
InChIInChI=1S/C12H18O3/c1-5-8(6-2)10-9(7(3)4)11(13)15-12(10)14/h5,7-10H,1,6H2,2-4H3
InChIKeyGRDGGZHRMBKTQF-UHFFFAOYSA-N
XLogP2.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-di(butan-2-yl)oxolane-2,5-dione
CID 126576326
3-(2,3-dimethylbutyl)-4-propan-2-yloxolane-2,5-dione
CID 147611414
5-methylidene-3-pent-1-en-3-yloxolan-2-one
CID 67988224
(3R)-3-[(3S)-pent-1-en-3-yl]oxolan-2-one
CID 45276221
3-methyl-4-pentan-3-yloxolane-2,5-dione
CID 176631085
1-methyl-2-pent-1-en-3-ylcyclopropane
CID 91325896
3-hexan-3-yl-4-methyloxolane-2,5-dione
CID 90441665
4-(2-methylbutyl)oxane-2,6-dione
CID 90389665
3-butan-2-yl-4-oxooxetane-2-carbaldehyde
CID 130035577
3-hept-1-en-3-yloxolane-2,5-dione;3-hex-1-en-3-yloxolane-2,5-dione
CID 157064477
3-methyl-4-(1-trimethylsilylpropan-2-yl)oxolane-2,5-dione
CID 58918127
(3S,4S,5R)-4-ethyl-3-[(E,3R)-hex-4-en-3-yl]-5-[(1S)-1-iodoethyl]oxolan-2-one
CID 10360485

Frequently Asked Questions

What is the IUPAC name of 3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione?
The IUPAC name of 3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione (CID 129141059) is 3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione.
What is the SMILES notation for 3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione?
The canonical SMILES for 3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione is C=CC(CC)C1C(=O)OC(=O)C1C(C)C.
What is the InChIKey of 3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione?
The InChIKey is GRDGGZHRMBKTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-5-8(6-2)10-9(7(3)4)11(13)15-12(10)14/h5,7-10H,1,6H2,2-4H3.
What are the key properties of 3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione?
3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione has a molecular weight of 210.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-1-en-3-yl-4-propan-2-yloxolane-2,5-dione is sourced from PubChem (CID 129141059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).