2-ethyl-5-methoxyoxolane-3-carbaldehyde

C8H14O3 — CID 14437435

IUPAC2-ethyl-5-methoxyoxolane-3-carbaldehyde
SMILESCCC1OC(OC)CC1C=O
InChIInChI=1S/C8H14O3/c1-3-7-6(5-9)4-8(10-2)11-7/h5-8H,3-4H2,1-2H3
InChIKeyPMVWOFWTXYVDEV-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.97
Rot. Bonds3

About 2-ethyl-5-methoxyoxolane-3-carbaldehyde

2-ethyl-5-methoxyoxolane-3-carbaldehyde (PubChem CID 14437435) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-ethyl-5-methoxyoxolane-3-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-5-methoxyoxolane-3-carbaldehyde
PubChem CID14437435
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-ethyl-5-methoxyoxolane-3-carbaldehyde
SMILESCCC1OC(OC)CC1C=O
InChIInChI=1S/C8H14O3/c1-3-7-6(5-9)4-8(10-2)11-7/h5-8H,3-4H2,1-2H3
InChIKeyPMVWOFWTXYVDEV-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-5-methoxyoxolane-3-carbaldehyde?
The IUPAC name of 2-ethyl-5-methoxyoxolane-3-carbaldehyde (CID 14437435) is 2-ethyl-5-methoxyoxolane-3-carbaldehyde.
What is the SMILES notation for 2-ethyl-5-methoxyoxolane-3-carbaldehyde?
The canonical SMILES for 2-ethyl-5-methoxyoxolane-3-carbaldehyde is CCC1OC(OC)CC1C=O.
What is the InChIKey of 2-ethyl-5-methoxyoxolane-3-carbaldehyde?
The InChIKey is PMVWOFWTXYVDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-7-6(5-9)4-8(10-2)11-7/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-5-methoxyoxolane-3-carbaldehyde?
2-ethyl-5-methoxyoxolane-3-carbaldehyde has a molecular weight of 158.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methoxyoxolane-3-carbaldehyde is sourced from PubChem (CID 14437435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).