1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde

C8H12O3 — CID 131165194

IUPAC1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde
SMILESO=CC1(C2COCC2O)CC1
InChIInChI=1S/C8H12O3/c9-5-8(1-2-8)6-3-11-4-7(6)10/h5-7,10H,1-4H2
InChIKeyHSKWIQCIQFJSGZ-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.03
Rot. Bonds2

About 1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde

1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde (PubChem CID 131165194) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde
PubChem CID131165194
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde
SMILESO=CC1(C2COCC2O)CC1
InChIInChI=1S/C8H12O3/c9-5-8(1-2-8)6-3-11-4-7(6)10/h5-7,10H,1-4H2
InChIKeyHSKWIQCIQFJSGZ-UHFFFAOYSA-N
XLogP-0.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.03
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 1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde (CID 131165194) is 1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde is O=CC1(C2COCC2O)CC1.
What is the InChIKey of 1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde?
The InChIKey is HSKWIQCIQFJSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-5-8(1-2-8)6-3-11-4-7(6)10/h5-7,10H,1-4H2.
What are the key properties of 1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde?
1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde has a molecular weight of 156.18 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyoxolan-3-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 131165194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).