2-(dichloromethyl)-1,3-dioxolan-2-ol

C4H6Cl2O3 — CID 86116885

IUPAC2-(dichloromethyl)-1,3-dioxolan-2-ol
SMILESOC1(C(Cl)Cl)OCCO1
InChIInChI=1S/C4H6Cl2O3/c5-3(6)4(7)8-1-2-9-4/h3,7H,1-2H2
InChIKeyMWEVIXURMXKKSE-UHFFFAOYSA-N
MW172.99 g/mol
LogP0.48
Rot. Bonds1

About 2-(dichloromethyl)-1,3-dioxolan-2-ol

2-(dichloromethyl)-1,3-dioxolan-2-ol (PubChem CID 86116885) has the molecular formula C4H6Cl2O3 and a molecular weight of 172.99 g/mol. Its IUPAC name is 2-(dichloromethyl)-1,3-dioxolan-2-ol.

Molecular Properties

Compound Name2-(dichloromethyl)-1,3-dioxolan-2-ol
PubChem CID86116885
Molecular FormulaC4H6Cl2O3
Molecular Weight172.99 g/mol
Exact Mass171.97
IUPAC Name2-(dichloromethyl)-1,3-dioxolan-2-ol
SMILESOC1(C(Cl)Cl)OCCO1
InChIInChI=1S/C4H6Cl2O3/c5-3(6)4(7)8-1-2-9-4/h3,7H,1-2H2
InChIKeyMWEVIXURMXKKSE-UHFFFAOYSA-N
XLogP0.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.99
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-1,3-dioxolan-2-ol?
The IUPAC name of 2-(dichloromethyl)-1,3-dioxolan-2-ol (CID 86116885) is 2-(dichloromethyl)-1,3-dioxolan-2-ol.
What is the SMILES notation for 2-(dichloromethyl)-1,3-dioxolan-2-ol?
The canonical SMILES for 2-(dichloromethyl)-1,3-dioxolan-2-ol is OC1(C(Cl)Cl)OCCO1.
What is the InChIKey of 2-(dichloromethyl)-1,3-dioxolan-2-ol?
The InChIKey is MWEVIXURMXKKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2O3/c5-3(6)4(7)8-1-2-9-4/h3,7H,1-2H2.
What are the key properties of 2-(dichloromethyl)-1,3-dioxolan-2-ol?
2-(dichloromethyl)-1,3-dioxolan-2-ol has a molecular weight of 172.99 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-1,3-dioxolan-2-ol is sourced from PubChem (CID 86116885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).