[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate

C8H16O6 — CID 18377815

IUPAC[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate
SMILESCC(=O)OC(O)COCCOCCO
InChIInChI=1S/C8H16O6/c1-7(10)14-8(11)6-13-5-4-12-3-2-9/h8-9,11H,2-6H2,1H3
InChIKeyFLCQQDYVLVCABF-UHFFFAOYSA-N
MW208.21 g/mol
LogP-1.11
Rot. Bonds8

About [1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate

[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate (PubChem CID 18377815) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is [1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate.

Molecular Properties

Compound Name[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate
PubChem CID18377815
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate
SMILESCC(=O)OC(O)COCCOCCO
InChIInChI=1S/C8H16O6/c1-7(10)14-8(11)6-13-5-4-12-3-2-9/h8-9,11H,2-6H2,1H3
InChIKeyFLCQQDYVLVCABF-UHFFFAOYSA-N
XLogP-1.11
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;2-methylprop-2-enoic acid
CID 87255356
2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid
CID 175590705
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
CID 87255416
4-hydroxy-5-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-1-en-3-one
CID 142665431
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
[1-hydroxy-2-(2-hydroxyethoxy)ethyl] 2-butoxyacetate
CID 154184788
1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87238952
azane;2-(2-hydroxyethoxy)-1-methoxyethanol
CID 90384460

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate?
The IUPAC name of [1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate (CID 18377815) is [1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate.
What is the SMILES notation for [1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate?
The canonical SMILES for [1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate is CC(=O)OC(O)COCCOCCO.
What is the InChIKey of [1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate?
The InChIKey is FLCQQDYVLVCABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6/c1-7(10)14-8(11)6-13-5-4-12-3-2-9/h8-9,11H,2-6H2,1H3.
What are the key properties of [1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate?
[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate has a molecular weight of 208.21 g/mol, XLogP of -1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate is sourced from PubChem (CID 18377815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).