3-(2-ethoxyethyl)oxolan-2-one

C8H14O3 — CID 165357092

IUPAC3-(2-ethoxyethyl)oxolan-2-one
SMILESCCOCCC1CCOC1=O
InChIInChI=1S/C8H14O3/c1-2-10-5-3-7-4-6-11-8(7)9/h7H,2-6H2,1H3
InChIKeyGKBBOFLLULXZGS-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.98
Rot. Bonds4

About 3-(2-ethoxyethyl)oxolan-2-one

3-(2-ethoxyethyl)oxolan-2-one (PubChem CID 165357092) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)oxolan-2-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)oxolan-2-one
PubChem CID165357092
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3-(2-ethoxyethyl)oxolan-2-one
SMILESCCOCCC1CCOC1=O
InChIInChI=1S/C8H14O3/c1-2-10-5-3-7-4-6-11-8(7)9/h7H,2-6H2,1H3
InChIKeyGKBBOFLLULXZGS-UHFFFAOYSA-N
XLogP0.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)oxolan-2-one?
The IUPAC name of 3-(2-ethoxyethyl)oxolan-2-one (CID 165357092) is 3-(2-ethoxyethyl)oxolan-2-one.
What is the SMILES notation for 3-(2-ethoxyethyl)oxolan-2-one?
The canonical SMILES for 3-(2-ethoxyethyl)oxolan-2-one is CCOCCC1CCOC1=O.
What is the InChIKey of 3-(2-ethoxyethyl)oxolan-2-one?
The InChIKey is GKBBOFLLULXZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-10-5-3-7-4-6-11-8(7)9/h7H,2-6H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)oxolan-2-one?
3-(2-ethoxyethyl)oxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)oxolan-2-one is sourced from PubChem (CID 165357092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).