2-ethyloxolane-2-carbaldehyde

C7H12O2 — CID 165476107

IUPAC2-ethyloxolane-2-carbaldehyde
SMILESCCC1(C=O)CCCO1
InChIInChI=1S/C7H12O2/c1-2-7(6-8)4-3-5-9-7/h6H,2-5H2,1H3
InChIKeyHTZAPOXVLJYAPP-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.14
Rot. Bonds2

About 2-ethyloxolane-2-carbaldehyde

2-ethyloxolane-2-carbaldehyde (PubChem CID 165476107) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name2-ethyloxolane-2-carbaldehyde
PubChem CID165476107
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-ethyloxolane-2-carbaldehyde
SMILESCCC1(C=O)CCCO1
InChIInChI=1S/C7H12O2/c1-2-7(6-8)4-3-5-9-7/h6H,2-5H2,1H3
InChIKeyHTZAPOXVLJYAPP-UHFFFAOYSA-N
XLogP1.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyloxolane-2-carbaldehyde?
The IUPAC name of 2-ethyloxolane-2-carbaldehyde (CID 165476107) is 2-ethyloxolane-2-carbaldehyde.
What is the SMILES notation for 2-ethyloxolane-2-carbaldehyde?
The canonical SMILES for 2-ethyloxolane-2-carbaldehyde is CCC1(C=O)CCCO1.
What is the InChIKey of 2-ethyloxolane-2-carbaldehyde?
The InChIKey is HTZAPOXVLJYAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-7(6-8)4-3-5-9-7/h6H,2-5H2,1H3.
What are the key properties of 2-ethyloxolane-2-carbaldehyde?
2-ethyloxolane-2-carbaldehyde has a molecular weight of 128.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxolane-2-carbaldehyde is sourced from PubChem (CID 165476107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).