3-but-2-en-2-yl-3-ethyloxolan-2-one

C10H16O2 — CID 67591318

IUPAC3-but-2-en-2-yl-3-ethyloxolan-2-one
SMILESCC=C(C)C1(CC)CCOC1=O
InChIInChI=1S/C10H16O2/c1-4-8(3)10(5-2)6-7-12-9(10)11/h4H,5-7H2,1-3H3
InChIKeyWTMXWBNYGPDPIS-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds2

About 3-but-2-en-2-yl-3-ethyloxolan-2-one

3-but-2-en-2-yl-3-ethyloxolan-2-one (PubChem CID 67591318) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-but-2-en-2-yl-3-ethyloxolan-2-one.

Molecular Properties

Compound Name3-but-2-en-2-yl-3-ethyloxolan-2-one
PubChem CID67591318
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-but-2-en-2-yl-3-ethyloxolan-2-one
SMILESCC=C(C)C1(CC)CCOC1=O
InChIInChI=1S/C10H16O2/c1-4-8(3)10(5-2)6-7-12-9(10)11/h4H,5-7H2,1-3H3
InChIKeyWTMXWBNYGPDPIS-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yl-3-ethyloxolan-2-one?
The IUPAC name of 3-but-2-en-2-yl-3-ethyloxolan-2-one (CID 67591318) is 3-but-2-en-2-yl-3-ethyloxolan-2-one.
What is the SMILES notation for 3-but-2-en-2-yl-3-ethyloxolan-2-one?
The canonical SMILES for 3-but-2-en-2-yl-3-ethyloxolan-2-one is CC=C(C)C1(CC)CCOC1=O.
What is the InChIKey of 3-but-2-en-2-yl-3-ethyloxolan-2-one?
The InChIKey is WTMXWBNYGPDPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-8(3)10(5-2)6-7-12-9(10)11/h4H,5-7H2,1-3H3.
What are the key properties of 3-but-2-en-2-yl-3-ethyloxolan-2-one?
3-but-2-en-2-yl-3-ethyloxolan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-en-2-yl-3-ethyloxolan-2-one is sourced from PubChem (CID 67591318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).