3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane

C9H16Cl2O3 — CID 161036340

IUPAC3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane
SMILESClCCCC1OCCO1.O=CCCCl
InChIInChI=1S/C6H11ClO2.C3H5ClO/c7-3-1-2-6-8-4-5-9-6;4-2-1-3-5/h6H,1-5H2;3H,1-2H2
InChIKeyUAHKASKOZUEPDX-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.19
Rot. Bonds5

About 3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane

3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane (PubChem CID 161036340) has the molecular formula C9H16Cl2O3 and a molecular weight of 243.13 g/mol. Its IUPAC name is 3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane.

Molecular Properties

Compound Name3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane
PubChem CID161036340
Molecular FormulaC9H16Cl2O3
Molecular Weight243.13 g/mol
Exact Mass242.05
IUPAC Name3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane
SMILESClCCCC1OCCO1.O=CCCCl
InChIInChI=1S/C6H11ClO2.C3H5ClO/c7-3-1-2-6-8-4-5-9-6;4-2-1-3-5/h6H,1-5H2;3H,1-2H2
InChIKeyUAHKASKOZUEPDX-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.19
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

6-(1,3-dioxolan-2-yl)hexanal
CID 13164762
2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane
CID 69493253
2-(4-chlorobutyl)-1,3-dioxolane
CID 5163683
2-(3-chloropropyl)-1,3-dioxepane
CID 14318108
2-(35-chloropentatriaconta-12,24-dienyl)-1,3-dioxolane;hexane
CID 68609176
2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane
CID 10419573
5-(1,3-dioxolan-2-yl)pentane-1-thiol
CID 154809639
2-(9-iodononyl)-1,3-dioxolane
CID 10496328
2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde
CID 170897748
2-(25-chloropentacosyl)oxirane
CID 89371586
2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide
CID 19032062
butanal;2-butoxyethanol;ethane-1,2-diol;molecular hydrogen;2-propyl-1,3-dioxolane;hydrate
CID 159396933

Frequently Asked Questions

What is the IUPAC name of 3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane?
The IUPAC name of 3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane (CID 161036340) is 3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane.
What is the SMILES notation for 3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane?
The canonical SMILES for 3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane is ClCCCC1OCCO1.O=CCCCl.
What is the InChIKey of 3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane?
The InChIKey is UAHKASKOZUEPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2.C3H5ClO/c7-3-1-2-6-8-4-5-9-6;4-2-1-3-5/h6H,1-5H2;3H,1-2H2.
What are the key properties of 3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane?
3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane has a molecular weight of 243.13 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane is sourced from PubChem (CID 161036340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).