3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal

C11H20O3 — CID 10856499

IUPAC3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal
SMILESCC[C@@]1(CCC=O)OC(C)(C)O[C@@H]1C
InChIInChI=1S/C11H20O3/c1-5-11(7-6-8-12)9(2)13-10(3,4)14-11/h8-9H,5-7H2,1-4H3/t9-,11+/m1/s1
InChIKeyFLEQPPLHCIDYCM-KOLCDFICSA-N
MW200.28 g/mol
LogP2.29
Rot. Bonds4

About 3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal

3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal (PubChem CID 10856499) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal.

Molecular Properties

Compound Name3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal
PubChem CID10856499
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal
SMILESCC[C@@]1(CCC=O)OC(C)(C)O[C@@H]1C
InChIInChI=1S/C11H20O3/c1-5-11(7-6-8-12)9(2)13-10(3,4)14-11/h8-9H,5-7H2,1-4H3/t9-,11+/m1/s1
InChIKeyFLEQPPLHCIDYCM-KOLCDFICSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal 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 3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal?
The IUPAC name of 3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal (CID 10856499) is 3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal.
What is the SMILES notation for 3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal?
The canonical SMILES for 3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal is CC[C@@]1(CCC=O)OC(C)(C)O[C@@H]1C.
What is the InChIKey of 3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal?
The InChIKey is FLEQPPLHCIDYCM-KOLCDFICSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-11(7-6-8-12)9(2)13-10(3,4)14-11/h8-9H,5-7H2,1-4H3/t9-,11+/m1/s1.
What are the key properties of 3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal?
3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal has a molecular weight of 200.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal is sourced from PubChem (CID 10856499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).