2-chloro-2-(1,3-dioxolan-2-yl)ethanol

C5H9ClO3 — CID 82254004

IUPAC2-chloro-2-(1,3-dioxolan-2-yl)ethanol
SMILESOCC(Cl)C1OCCO1
InChIInChI=1S/C5H9ClO3/c6-4(3-7)5-8-1-2-9-5/h4-5,7H,1-3H2
InChIKeyHTQBVDRVQYYWGM-UHFFFAOYSA-N
MW152.58 g/mol
LogP-0.04
Rot. Bonds2

About 2-chloro-2-(1,3-dioxolan-2-yl)ethanol

2-chloro-2-(1,3-dioxolan-2-yl)ethanol (PubChem CID 82254004) has the molecular formula C5H9ClO3 and a molecular weight of 152.58 g/mol. Its IUPAC name is 2-chloro-2-(1,3-dioxolan-2-yl)ethanol.

Molecular Properties

Compound Name2-chloro-2-(1,3-dioxolan-2-yl)ethanol
PubChem CID82254004
Molecular FormulaC5H9ClO3
Molecular Weight152.58 g/mol
Exact Mass152.02
IUPAC Name2-chloro-2-(1,3-dioxolan-2-yl)ethanol
SMILESOCC(Cl)C1OCCO1
InChIInChI=1S/C5H9ClO3/c6-4(3-7)5-8-1-2-9-5/h4-5,7H,1-3H2
InChIKeyHTQBVDRVQYYWGM-UHFFFAOYSA-N
XLogP-0.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxolan-2-yl)heptane-1,7-diol
CID 134273656
2-(1,3-dioxolan-2-ylmethyl)propane-1,3-diol
CID 54397027
2-(1,3-dioxolan-2-yl)-2-phenylethanol
CID 102198960
4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol
CID 14537364
1-(1,3-dioxolan-2-yl)prop-2-en-1-ol
CID 70630757
2-heptan-4-yl-1,3-dioxolane
CID 57255481
4-chloro-4-[4-(2-chloroethyl)-1,3-dioxolan-2-yl]butane-1,2-diol
CID 70638651
2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol
CID 130002898
1-(1,3-dioxolan-2-yl)ethanethiol
CID 123704944
2-(oxiran-2-yl)propane-1,3-diol
CID 18506434
1-(5-hydroxy-7-methyl-1,4-dioxepan-5-yl)ethane-1,2-diol
CID 70487099
azane;2,2-dichloroethanol
CID 87173184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(1,3-dioxolan-2-yl)ethanol?
The IUPAC name of 2-chloro-2-(1,3-dioxolan-2-yl)ethanol (CID 82254004) is 2-chloro-2-(1,3-dioxolan-2-yl)ethanol.
What is the SMILES notation for 2-chloro-2-(1,3-dioxolan-2-yl)ethanol?
The canonical SMILES for 2-chloro-2-(1,3-dioxolan-2-yl)ethanol is OCC(Cl)C1OCCO1.
What is the InChIKey of 2-chloro-2-(1,3-dioxolan-2-yl)ethanol?
The InChIKey is HTQBVDRVQYYWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3/c6-4(3-7)5-8-1-2-9-5/h4-5,7H,1-3H2.
What are the key properties of 2-chloro-2-(1,3-dioxolan-2-yl)ethanol?
2-chloro-2-(1,3-dioxolan-2-yl)ethanol has a molecular weight of 152.58 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(1,3-dioxolan-2-yl)ethanol is sourced from PubChem (CID 82254004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).