2-(4-hydroxyoxolan-3-yl)-2-methylpropanal

C8H14O3 — CID 126989638

IUPAC2-(4-hydroxyoxolan-3-yl)-2-methylpropanal
SMILESCC(C)(C=O)C1COCC1O
InChIInChI=1S/C8H14O3/c1-8(2,5-9)6-3-11-4-7(6)10/h5-7,10H,3-4H2,1-2H3
InChIKeyGUJWMGAUTWJHLB-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.22
Rot. Bonds2

About 2-(4-hydroxyoxolan-3-yl)-2-methylpropanal

2-(4-hydroxyoxolan-3-yl)-2-methylpropanal (PubChem CID 126989638) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(4-hydroxyoxolan-3-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(4-hydroxyoxolan-3-yl)-2-methylpropanal
PubChem CID126989638
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(4-hydroxyoxolan-3-yl)-2-methylpropanal
SMILESCC(C)(C=O)C1COCC1O
InChIInChI=1S/C8H14O3/c1-8(2,5-9)6-3-11-4-7(6)10/h5-7,10H,3-4H2,1-2H3
InChIKeyGUJWMGAUTWJHLB-UHFFFAOYSA-N
XLogP0.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
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 2-(4-hydroxyoxolan-3-yl)-2-methylpropanal?
The IUPAC name of 2-(4-hydroxyoxolan-3-yl)-2-methylpropanal (CID 126989638) is 2-(4-hydroxyoxolan-3-yl)-2-methylpropanal.
What is the SMILES notation for 2-(4-hydroxyoxolan-3-yl)-2-methylpropanal?
The canonical SMILES for 2-(4-hydroxyoxolan-3-yl)-2-methylpropanal is CC(C)(C=O)C1COCC1O.
What is the InChIKey of 2-(4-hydroxyoxolan-3-yl)-2-methylpropanal?
The InChIKey is GUJWMGAUTWJHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2,5-9)6-3-11-4-7(6)10/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 2-(4-hydroxyoxolan-3-yl)-2-methylpropanal?
2-(4-hydroxyoxolan-3-yl)-2-methylpropanal has a molecular weight of 158.20 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyoxolan-3-yl)-2-methylpropanal is sourced from PubChem (CID 126989638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).