(2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal

C8H14O3 — CID 102311904

IUPAC(2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal
SMILESCCC1([C@H](C)C=O)OCCO1
InChIInChI=1S/C8H14O3/c1-3-8(7(2)6-9)10-4-5-11-8/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyXKSMWQKDWYPFSO-SSDOTTSWSA-N
MW158.20 g/mol
LogP0.97
Rot. Bonds3

About (2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal

(2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal (PubChem CID 102311904) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal.

Molecular Properties

Compound Name(2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal
PubChem CID102311904
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal
SMILESCCC1([C@H](C)C=O)OCCO1
InChIInChI=1S/C8H14O3/c1-3-8(7(2)6-9)10-4-5-11-8/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyXKSMWQKDWYPFSO-SSDOTTSWSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-(2-ethyl-1,3-dioxolan-2-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 (2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal?
The IUPAC name of (2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal (CID 102311904) is (2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal.
What is the SMILES notation for (2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal?
The canonical SMILES for (2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal is CCC1([C@H](C)C=O)OCCO1.
What is the InChIKey of (2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal?
The InChIKey is XKSMWQKDWYPFSO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-8(7(2)6-9)10-4-5-11-8/h6-7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal?
(2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal has a molecular weight of 158.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal is sourced from PubChem (CID 102311904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).