2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol

C11H21ClO4 — CID 57083071

IUPAC2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol
SMILESOCCC1OCCCC1OCCOCCCl
InChIInChI=1S/C11H21ClO4/c12-4-7-14-8-9-16-10-2-1-6-15-11(10)3-5-13/h10-11,13H,1-9H2
InChIKeyGUZLCQGWMLHDGI-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.19
Rot. Bonds8

About 2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol

2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol (PubChem CID 57083071) has the molecular formula C11H21ClO4 and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol
PubChem CID57083071
Molecular FormulaC11H21ClO4
Molecular Weight252.74 g/mol
Exact Mass252.11
IUPAC Name2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol
SMILESOCCC1OCCCC1OCCOCCCl
InChIInChI=1S/C11H21ClO4/c12-4-7-14-8-9-16-10-2-1-6-15-11(10)3-5-13/h10-11,13H,1-9H2
InChIKeyGUZLCQGWMLHDGI-UHFFFAOYSA-N
XLogP1.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224
1-chloro-2-[2-(2-chloroethoxy)ethoxy]cyclohexane
CID 3509767
2-[(2R)-3-hexoxyoxolan-2-yl]ethanol
CID 145103841
2-[(2R)-3-decoxyoxolan-2-yl]ethanol
CID 145103843
[(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol
CID 10773900
cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol
CID 10891991
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol
CID 155269084
2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol
CID 106938416
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol?
The IUPAC name of 2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol (CID 57083071) is 2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol.
What is the SMILES notation for 2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol?
The canonical SMILES for 2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol is OCCC1OCCCC1OCCOCCCl.
What is the InChIKey of 2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol?
The InChIKey is GUZLCQGWMLHDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO4/c12-4-7-14-8-9-16-10-2-1-6-15-11(10)3-5-13/h10-11,13H,1-9H2.
What are the key properties of 2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol?
2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol has a molecular weight of 252.74 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol is sourced from PubChem (CID 57083071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).