2-methoxy-5-methyloxolane-3-carbaldehyde

C7H12O3 — CID 20696898

IUPAC2-methoxy-5-methyloxolane-3-carbaldehyde
SMILESCOC1OC(C)CC1C=O
InChIInChI=1S/C7H12O3/c1-5-3-6(4-8)7(9-2)10-5/h4-7H,3H2,1-2H3
InChIKeyHBWUFASCYOLRIO-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.58
Rot. Bonds2

About 2-methoxy-5-methyloxolane-3-carbaldehyde

2-methoxy-5-methyloxolane-3-carbaldehyde (PubChem CID 20696898) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-methoxy-5-methyloxolane-3-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-methyloxolane-3-carbaldehyde
PubChem CID20696898
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-methoxy-5-methyloxolane-3-carbaldehyde
SMILESCOC1OC(C)CC1C=O
InChIInChI=1S/C7H12O3/c1-5-3-6(4-8)7(9-2)10-5/h4-7H,3H2,1-2H3
InChIKeyHBWUFASCYOLRIO-UHFFFAOYSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.58
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-methoxy-5-methyloxolane-3-carbaldehyde?
The IUPAC name of 2-methoxy-5-methyloxolane-3-carbaldehyde (CID 20696898) is 2-methoxy-5-methyloxolane-3-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-methyloxolane-3-carbaldehyde?
The canonical SMILES for 2-methoxy-5-methyloxolane-3-carbaldehyde is COC1OC(C)CC1C=O.
What is the InChIKey of 2-methoxy-5-methyloxolane-3-carbaldehyde?
The InChIKey is HBWUFASCYOLRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5-3-6(4-8)7(9-2)10-5/h4-7H,3H2,1-2H3.
What are the key properties of 2-methoxy-5-methyloxolane-3-carbaldehyde?
2-methoxy-5-methyloxolane-3-carbaldehyde has a molecular weight of 144.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyloxolane-3-carbaldehyde is sourced from PubChem (CID 20696898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).