chloro acetate;2-(2-hydroxyethoxy)ethanol

C6H13ClO5 — CID 170842530

IUPACchloro acetate;2-(2-hydroxyethoxy)ethanol
SMILESCC(=O)OCl.OCCOCCO
InChIInChI=1S/C4H10O3.C2H3ClO2/c5-1-3-7-4-2-6;1-2(4)5-3/h5-6H,1-4H2;1H3
InChIKeyIBBHEIFLTIMIIX-UHFFFAOYSA-N
MW200.62 g/mol
LogP-0.31
Rot. Bonds4

About chloro acetate;2-(2-hydroxyethoxy)ethanol

chloro acetate;2-(2-hydroxyethoxy)ethanol (PubChem CID 170842530) has the molecular formula C6H13ClO5 and a molecular weight of 200.62 g/mol. Its IUPAC name is chloro acetate;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Namechloro acetate;2-(2-hydroxyethoxy)ethanol
PubChem CID170842530
Molecular FormulaC6H13ClO5
Molecular Weight200.62 g/mol
Exact Mass200.05
IUPAC Namechloro acetate;2-(2-hydroxyethoxy)ethanol
SMILESCC(=O)OCl.OCCOCCO
InChIInChI=1S/C4H10O3.C2H3ClO2/c5-1-3-7-4-2-6;1-2(4)5-3/h5-6H,1-4H2;1H3
InChIKeyIBBHEIFLTIMIIX-UHFFFAOYSA-N
XLogP-0.31
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol
CID 88742997
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
acetic acid;2-(hydroxymethoxy)ethanol
CID 53447013
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl hypochlorite
CID 174668360
ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
CID 146319223
acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 175016263
CID 172779404
CID 172779404
chloro acetate;yttrium
CID 174640124
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
N,N-dimethylacetamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 175584179
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
CID 87238314

Frequently Asked Questions

What is the IUPAC name of chloro acetate;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of chloro acetate;2-(2-hydroxyethoxy)ethanol (CID 170842530) is chloro acetate;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for chloro acetate;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for chloro acetate;2-(2-hydroxyethoxy)ethanol is CC(=O)OCl.OCCOCCO.
What is the InChIKey of chloro acetate;2-(2-hydroxyethoxy)ethanol?
The InChIKey is IBBHEIFLTIMIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C2H3ClO2/c5-1-3-7-4-2-6;1-2(4)5-3/h5-6H,1-4H2;1H3.
What are the key properties of chloro acetate;2-(2-hydroxyethoxy)ethanol?
chloro acetate;2-(2-hydroxyethoxy)ethanol has a molecular weight of 200.62 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro acetate;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 170842530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).