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

C7H12O3 — CID 71762815

IUPAC(2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal
SMILESC[C@H](C=O)C1(C)OCCO1
InChIInChI=1S/C7H12O3/c1-6(5-8)7(2)9-3-4-10-7/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyZNSHJLNTTCEYQP-ZCFIWIBFSA-N
MW144.17 g/mol
LogP0.58
Rot. Bonds2

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

(2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal (PubChem CID 71762815) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal.

Molecular Properties

Compound Name(2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal
PubChem CID71762815
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal
SMILESC[C@H](C=O)C1(C)OCCO1
InChIInChI=1S/C7H12O3/c1-6(5-8)7(2)9-3-4-10-7/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyZNSHJLNTTCEYQP-ZCFIWIBFSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal?
The IUPAC name of (2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal (CID 71762815) is (2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal.
What is the SMILES notation for (2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal?
The canonical SMILES for (2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal is C[C@H](C=O)C1(C)OCCO1.
What is the InChIKey of (2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal?
The InChIKey is ZNSHJLNTTCEYQP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(5-8)7(2)9-3-4-10-7/h5-6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal?
(2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal has a molecular weight of 144.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methyl-1,3-dioxolan-2-yl)propanal is sourced from PubChem (CID 71762815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).