2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde

C11H20O4 — CID 21450745

IUPAC2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde
SMILESCC(C)OC1CC(C=O)C(OC(C)C)O1
InChIInChI=1S/C11H20O4/c1-7(2)13-10-5-9(6-12)11(15-10)14-8(3)4/h6-11H,5H2,1-4H3
InChIKeyFENJXPOIOOOVIH-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.72
Rot. Bonds5

About 2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde

2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde (PubChem CID 21450745) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde.

Molecular Properties

Compound Name2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde
PubChem CID21450745
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde
SMILESCC(C)OC1CC(C=O)C(OC(C)C)O1
InChIInChI=1S/C11H20O4/c1-7(2)13-10-5-9(6-12)11(15-10)14-8(3)4/h6-11H,5H2,1-4H3
InChIKeyFENJXPOIOOOVIH-UHFFFAOYSA-N
XLogP1.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-2,5-dimethoxyfuran-3-carbaldehyde
CID 567310
5-Methoxy-2-methyloxolane-3-carbaldehyde
CID 14437433
2,5-Dimethoxy-5-methyloxolane-3-carbaldehyde
CID 21667204
3-(1-Ethoxyethoxy)-2-methylbutanal
CID 542368
3-Formyl-5-methoxytetrahydrofuran
CID 14437432
2-Dimethoxymethyl-4,4-dimethoxybutanal
CID 14669446
2-Ethoxyoxolane-3-carbaldehyde
CID 129799553
5-Methoxy-3-(trimethoxymethyl)oxolan-2-one
CID 134859340
2-[1-(2-Methylpropoxy)ethyl]-1,3-dioxepane-5-carbaldehyde
CID 86155609
(2S,3S,5S)-5-methoxy-2-methyloxolane-3-carbaldehyde
CID 129449860
2-Methoxyoxolane-3-carbaldehyde
CID 10285795
2,5-Diethoxyoxolane-3-carbaldehyde
CID 13147284

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde?
The IUPAC name of 2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde (CID 21450745) is 2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde.
What is the SMILES notation for 2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde?
The canonical SMILES for 2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde is CC(C)OC1CC(C=O)C(OC(C)C)O1.
What is the InChIKey of 2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde?
The InChIKey is FENJXPOIOOOVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-7(2)13-10-5-9(6-12)11(15-10)14-8(3)4/h6-11H,5H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde?
2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde has a molecular weight of 216.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yloxy)oxolane-3-carbaldehyde is sourced from PubChem (CID 21450745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).