1-(2,2,2-trimethoxyethoxy)ethanol

C7H16O5 — CID 160554155

IUPAC1-(2,2,2-trimethoxyethoxy)ethanol
SMILESCOC(COC(C)O)(OC)OC
InChIInChI=1S/C7H16O5/c1-6(8)12-5-7(9-2,10-3)11-4/h6,8H,5H2,1-4H3
InChIKeyKSTYSVXQJPHUMP-UHFFFAOYSA-N
MW180.20 g/mol
LogP-0.07
Rot. Bonds6

About 1-(2,2,2-trimethoxyethoxy)ethanol

1-(2,2,2-trimethoxyethoxy)ethanol (PubChem CID 160554155) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-(2,2,2-trimethoxyethoxy)ethanol.

Molecular Properties

Compound Name1-(2,2,2-trimethoxyethoxy)ethanol
PubChem CID160554155
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Name1-(2,2,2-trimethoxyethoxy)ethanol
SMILESCOC(COC(C)O)(OC)OC
InChIInChI=1S/C7H16O5/c1-6(8)12-5-7(9-2,10-3)11-4/h6,8H,5H2,1-4H3
InChIKeyKSTYSVXQJPHUMP-UHFFFAOYSA-N
XLogP-0.07
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-trichloroethoxy)ethanol
CID 20975529
1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol
CID 87319009
CID 159597367
CID 159597367
strontium;1-ethoxyethanol;hydride
CID 174472576
5,5,5-trimethoxy-2,3-dimethylpentan-2-ol
CID 171063196
1-ethoxyethanol;N-methylmethanamine
CID 18941772
ethanamine;1-ethoxyethanol
CID 20501270
tris(pentane-2,4-diol);ruthenium
CID 5231187
ethane;1-methoxyethanol
CID 157348595
2,2,2-trimethoxyethanol;zirconium
CID 87320991
1-(2-aminoethoxy)ethanol;hydroxylamine
CID 87972798
magnesium;hydride;1-propoxyethanol
CID 174529104

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trimethoxyethoxy)ethanol?
The IUPAC name of 1-(2,2,2-trimethoxyethoxy)ethanol (CID 160554155) is 1-(2,2,2-trimethoxyethoxy)ethanol.
What is the SMILES notation for 1-(2,2,2-trimethoxyethoxy)ethanol?
The canonical SMILES for 1-(2,2,2-trimethoxyethoxy)ethanol is COC(COC(C)O)(OC)OC.
What is the InChIKey of 1-(2,2,2-trimethoxyethoxy)ethanol?
The InChIKey is KSTYSVXQJPHUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5/c1-6(8)12-5-7(9-2,10-3)11-4/h6,8H,5H2,1-4H3.
What are the key properties of 1-(2,2,2-trimethoxyethoxy)ethanol?
1-(2,2,2-trimethoxyethoxy)ethanol has a molecular weight of 180.20 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trimethoxyethoxy)ethanol is sourced from PubChem (CID 160554155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).