4-chloro-1,3-dioxolane-2-carbaldehyde

C4H5ClO3 — CID 174481906

IUPAC4-chloro-1,3-dioxolane-2-carbaldehyde
SMILESO=CC1OCC(Cl)O1
InChIInChI=1S/C4H5ClO3/c5-3-2-7-4(1-6)8-3/h1,3-4H,2H2
InChIKeyJHZFPTFBOUWQDN-UHFFFAOYSA-N
MW136.53 g/mol
LogP0.12
Rot. Bonds1

About 4-chloro-1,3-dioxolane-2-carbaldehyde

4-chloro-1,3-dioxolane-2-carbaldehyde (PubChem CID 174481906) has the molecular formula C4H5ClO3 and a molecular weight of 136.53 g/mol. Its IUPAC name is 4-chloro-1,3-dioxolane-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-1,3-dioxolane-2-carbaldehyde
PubChem CID174481906
Molecular FormulaC4H5ClO3
Molecular Weight136.53 g/mol
Exact Mass135.99
IUPAC Name4-chloro-1,3-dioxolane-2-carbaldehyde
SMILESO=CC1OCC(Cl)O1
InChIInChI=1S/C4H5ClO3/c5-3-2-7-4(1-6)8-3/h1,3-4H,2H2
InChIKeyJHZFPTFBOUWQDN-UHFFFAOYSA-N
XLogP0.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.53
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trioxane-2,4,6-tricarbaldehyde
CID 54209022
4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde
CID 174783735
1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite
CID 174677516
oxirane-2-carbaldehyde;silane
CID 173157957
4-(benzenesulfinylmethyl)-1,3-dioxolane-2-carbaldehyde
CID 174760212
4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde
CID 174323449
2-chlorooxane-4-carbaldehyde
CID 87356208
5,5-dimethyl-4-propan-2-yl-1,3-dioxane-2-carbaldehyde
CID 14401442
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde
CID 129267682
1,4-dioxane-2,3-dicarbaldehyde
CID 150021643
2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde
CID 54408460
2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde
CID 173256593

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dioxolane-2-carbaldehyde?
The IUPAC name of 4-chloro-1,3-dioxolane-2-carbaldehyde (CID 174481906) is 4-chloro-1,3-dioxolane-2-carbaldehyde.
What is the SMILES notation for 4-chloro-1,3-dioxolane-2-carbaldehyde?
The canonical SMILES for 4-chloro-1,3-dioxolane-2-carbaldehyde is O=CC1OCC(Cl)O1.
What is the InChIKey of 4-chloro-1,3-dioxolane-2-carbaldehyde?
The InChIKey is JHZFPTFBOUWQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO3/c5-3-2-7-4(1-6)8-3/h1,3-4H,2H2.
What are the key properties of 4-chloro-1,3-dioxolane-2-carbaldehyde?
4-chloro-1,3-dioxolane-2-carbaldehyde has a molecular weight of 136.53 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dioxolane-2-carbaldehyde is sourced from PubChem (CID 174481906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).