2,5-dimethoxy-2-methyloxolane-3-carbaldehyde

C8H14O4 — CID 174447743

IUPAC2,5-dimethoxy-2-methyloxolane-3-carbaldehyde
SMILESCOC1CC(C=O)C(C)(OC)O1
InChIInChI=1S/C8H14O4/c1-8(11-3)6(5-9)4-7(10-2)12-8/h5-7H,4H2,1-3H3
InChIKeyVAAFSIBZYBYOCZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.56
Rot. Bonds3

About 2,5-dimethoxy-2-methyloxolane-3-carbaldehyde

2,5-dimethoxy-2-methyloxolane-3-carbaldehyde (PubChem CID 174447743) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,5-dimethoxy-2-methyloxolane-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethoxy-2-methyloxolane-3-carbaldehyde
PubChem CID174447743
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2,5-dimethoxy-2-methyloxolane-3-carbaldehyde
SMILESCOC1CC(C=O)C(C)(OC)O1
InChIInChI=1S/C8H14O4/c1-8(11-3)6(5-9)4-7(10-2)12-8/h5-7H,4H2,1-3H3
InChIKeyVAAFSIBZYBYOCZ-UHFFFAOYSA-N
XLogP0.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-2-methyloxolane-3-carbaldehyde?
The IUPAC name of 2,5-dimethoxy-2-methyloxolane-3-carbaldehyde (CID 174447743) is 2,5-dimethoxy-2-methyloxolane-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethoxy-2-methyloxolane-3-carbaldehyde?
The canonical SMILES for 2,5-dimethoxy-2-methyloxolane-3-carbaldehyde is COC1CC(C=O)C(C)(OC)O1.
What is the InChIKey of 2,5-dimethoxy-2-methyloxolane-3-carbaldehyde?
The InChIKey is VAAFSIBZYBYOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(11-3)6(5-9)4-7(10-2)12-8/h5-7H,4H2,1-3H3.
What are the key properties of 2,5-dimethoxy-2-methyloxolane-3-carbaldehyde?
2,5-dimethoxy-2-methyloxolane-3-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-2-methyloxolane-3-carbaldehyde is sourced from PubChem (CID 174447743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).