2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol

C8H17ClO4 — CID 88699354

IUPAC2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol
SMILESCC(OCCO)OC(C)OCCCl
InChIInChI=1S/C8H17ClO4/c1-7(11-5-3-9)13-8(2)12-6-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyIWJQYHOYZWHEDV-UHFFFAOYSA-N
MW212.67 g/mol
LogP0.96
Rot. Bonds8

About 2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol

2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol (PubChem CID 88699354) has the molecular formula C8H17ClO4 and a molecular weight of 212.67 g/mol. Its IUPAC name is 2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol
PubChem CID88699354
Molecular FormulaC8H17ClO4
Molecular Weight212.67 g/mol
Exact Mass212.08
IUPAC Name2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol
SMILESCC(OCCO)OC(C)OCCCl
InChIInChI=1S/C8H17ClO4/c1-7(11-5-3-9)13-8(2)12-6-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyIWJQYHOYZWHEDV-UHFFFAOYSA-N
XLogP0.96
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.67
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 88836722
2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol
CID 70418187
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
1-[1-(1-butoxyethoxy)ethoxy]butane;propane-1,2-diol
CID 87392981
2-(1-butoxyethoxy)ethanol;pentan-1-ol
CID 88518213
2-(3-aminobutan-2-yloxy)ethanol
CID 142952551
2-(2-hydroxyethoxy)propane-1,1-diol
CID 159544993
2-(1-chloropropoxy)ethanol
CID 19070492
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-[(2S)-3-methylpentan-2-yl]oxyethanol
CID 91428626
1-(1-hexoxyethoxy)ethanol
CID 22559456

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol (CID 88699354) is 2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol is CC(OCCO)OC(C)OCCCl.
What is the InChIKey of 2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is IWJQYHOYZWHEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO4/c1-7(11-5-3-9)13-8(2)12-6-4-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol?
2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 212.67 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 88699354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).