(3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde

C11H18O5 — CID 58666519

IUPAC(3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde
SMILESCC[C@@]1(C=O)O[C@@H](OC)C2OC(C)(C)O[C@H]21
InChIInChI=1S/C11H18O5/c1-5-11(6-12)8-7(9(13-4)16-11)14-10(2,3)15-8/h6-9H,5H2,1-4H3/t7?,8-,9-,11+/m1/s1
InChIKeyFGUYHEJGQMSSRQ-KAQMQXIFSA-N
MW230.26 g/mol
LogP0.86
Rot. Bonds3

About (3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde

(3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde (PubChem CID 58666519) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde.

Molecular Properties

Compound Name(3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde
PubChem CID58666519
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde
SMILESCC[C@@]1(C=O)O[C@@H](OC)C2OC(C)(C)O[C@H]21
InChIInChI=1S/C11H18O5/c1-5-11(6-12)8-7(9(13-4)16-11)14-10(2,3)15-8/h6-9H,5H2,1-4H3/t7?,8-,9-,11+/m1/s1
InChIKeyFGUYHEJGQMSSRQ-KAQMQXIFSA-N
XLogP0.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-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 (3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde?
The IUPAC name of (3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde (CID 58666519) is (3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde.
What is the SMILES notation for (3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde?
The canonical SMILES for (3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde is CC[C@@]1(C=O)O[C@@H](OC)C2OC(C)(C)O[C@H]21.
What is the InChIKey of (3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde?
The InChIKey is FGUYHEJGQMSSRQ-KAQMQXIFSA-N. The full InChI is InChI=1S/C11H18O5/c1-5-11(6-12)8-7(9(13-4)16-11)14-10(2,3)15-8/h6-9H,5H2,1-4H3/t7?,8-,9-,11+/m1/s1.
What are the key properties of (3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde?
(3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde has a molecular weight of 230.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6R)-4-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbaldehyde is sourced from PubChem (CID 58666519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).