2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde

C10H14O5 — CID 20580571

IUPAC2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde
SMILESCC1C(=O)OC2C(C=O)OC(C)(C)OC12
InChIInChI=1S/C10H14O5/c1-5-7-8(13-9(5)12)6(4-11)14-10(2,3)15-7/h4-8H,1-3H3
InChIKeyMTIITMPSOFMIFT-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.27
Rot. Bonds1

About 2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde

2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde (PubChem CID 20580571) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde.

Molecular Properties

Compound Name2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde
PubChem CID20580571
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde
SMILESCC1C(=O)OC2C(C=O)OC(C)(C)OC12
InChIInChI=1S/C10H14O5/c1-5-7-8(13-9(5)12)6(4-11)14-10(2,3)15-7/h4-8H,1-3H3
InChIKeyMTIITMPSOFMIFT-UHFFFAOYSA-N
XLogP0.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde?
The IUPAC name of 2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde (CID 20580571) is 2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde.
What is the SMILES notation for 2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde?
The canonical SMILES for 2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde is CC1C(=O)OC2C(C=O)OC(C)(C)OC12.
What is the InChIKey of 2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde?
The InChIKey is MTIITMPSOFMIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-5-7-8(13-9(5)12)6(4-11)14-10(2,3)15-7/h4-8H,1-3H3.
What are the key properties of 2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde?
2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde has a molecular weight of 214.22 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7-trimethyl-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde is sourced from PubChem (CID 20580571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).