1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol

C12H26O6 — CID 87319009

IUPAC1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol
SMILESCCC(COC(C)O)(COC(C)O)COC(C)O
InChIInChI=1S/C12H26O6/c1-5-12(6-16-9(2)13,7-17-10(3)14)8-18-11(4)15/h9-11,13-15H,5-8H2,1-4H3
InChIKeyPAOOTCMINUGZEG-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.45
Rot. Bonds10

About 1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol

1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol (PubChem CID 87319009) has the molecular formula C12H26O6 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol.

Molecular Properties

Compound Name1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol
PubChem CID87319009
Molecular FormulaC12H26O6
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Name1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol
SMILESCCC(COC(C)O)(COC(C)O)COC(C)O
InChIInChI=1S/C12H26O6/c1-5-12(6-16-9(2)13,7-17-10(3)14)8-18-11(4)15/h9-11,13-15H,5-8H2,1-4H3
InChIKeyPAOOTCMINUGZEG-UHFFFAOYSA-N
XLogP0.45
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2,2,2-trimethoxyethoxy)ethanol
CID 160554155
CID 159597367
CID 159597367
1-[2,2-bis(2-hydroxybutoxymethyl)butoxy]butan-2-ol
CID 118403092
strontium;1-ethoxyethanol;hydride
CID 174472576
1-ethoxyethanol;N-methylmethanamine
CID 18941772
2,2-bis(hydroxymethoxymethyl)butoxymethanol
CID 126644173
ethanamine;1-ethoxyethanol
CID 20501270
1-[2-[2,2-bis(1-phenoxyethoxymethyl)butoxymethyl]-2-(1-phenoxyethoxymethyl)butoxy]ethoxybenzene
CID 139547150
2,2-bis(dihydroxyphosphanyloxymethyl)butyl dihydrogen phosphite
CID 21491714
magnesium;hydride;1-propoxyethanol
CID 174529104
1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine
CID 155605635

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol?
The IUPAC name of 1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol (CID 87319009) is 1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol.
What is the SMILES notation for 1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol?
The canonical SMILES for 1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol is CCC(COC(C)O)(COC(C)O)COC(C)O.
What is the InChIKey of 1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol?
The InChIKey is PAOOTCMINUGZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6/c1-5-12(6-16-9(2)13,7-17-10(3)14)8-18-11(4)15/h9-11,13-15H,5-8H2,1-4H3.
What are the key properties of 1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol?
1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol has a molecular weight of 266.33 g/mol, XLogP of 0.45, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(1-hydroxyethoxymethyl)butoxy]ethanol is sourced from PubChem (CID 87319009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).