4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde

C5H7ClO3 — CID 174478756

IUPAC4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde
SMILESO=CC1OCC(CCl)O1
InChIInChI=1S/C5H7ClO3/c6-1-4-3-8-5(2-7)9-4/h2,4-5H,1,3H2
InChIKeyBFIOOUFVRGYLTQ-UHFFFAOYSA-N
MW150.56 g/mol
LogP0.17
Rot. Bonds2

About 4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde

4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde (PubChem CID 174478756) has the molecular formula C5H7ClO3 and a molecular weight of 150.56 g/mol. Its IUPAC name is 4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde.

Molecular Properties

Compound Name4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde
PubChem CID174478756
Molecular FormulaC5H7ClO3
Molecular Weight150.56 g/mol
Exact Mass150.01
IUPAC Name4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde
SMILESO=CC1OCC(CCl)O1
InChIInChI=1S/C5H7ClO3/c6-1-4-3-8-5(2-7)9-4/h2,4-5H,1,3H2
InChIKeyBFIOOUFVRGYLTQ-UHFFFAOYSA-N
XLogP0.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde?
The IUPAC name of 4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde (CID 174478756) is 4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde.
What is the SMILES notation for 4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde?
The canonical SMILES for 4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde is O=CC1OCC(CCl)O1.
What is the InChIKey of 4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde?
The InChIKey is BFIOOUFVRGYLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO3/c6-1-4-3-8-5(2-7)9-4/h2,4-5H,1,3H2.
What are the key properties of 4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde?
4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde has a molecular weight of 150.56 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1,3-dioxolane-2-carbaldehyde is sourced from PubChem (CID 174478756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).