1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol

C17H36O6 — CID 175356335

IUPAC1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol
SMILESCCCCOCCOC(O)C(OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C17H36O6/c1-8-9-10-19-11-12-20-16(18)17(21-13(2)3,22-14(4)5)23-15(6)7/h13-16,18H,8-12H2,1-7H3
InChIKeyNEIYLFAEOXPTGV-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.07
Rot. Bonds14

About 1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol

1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol (PubChem CID 175356335) has the molecular formula C17H36O6 and a molecular weight of 336.47 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol
PubChem CID175356335
Molecular FormulaC17H36O6
Molecular Weight336.47 g/mol
Exact Mass336.25
IUPAC Name1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol
SMILESCCCCOCCOC(O)C(OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C17H36O6/c1-8-9-10-19-11-12-20-16(18)17(21-13(2)3,22-14(4)5)23-15(6)7/h13-16,18H,8-12H2,1-7H3
InChIKeyNEIYLFAEOXPTGV-UHFFFAOYSA-N
XLogP3.07
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
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

1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
butane-2,3-diol;1-butoxybutane
CID 87169993
1-butoxybutane;propane-1,1-diol
CID 87222669
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol
CID 106802733
butan-2-ol;2-butoxyethanol
CID 118377400
3-(2-butoxyethoxy)butan-2-one
CID 43800225
1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
3-(2-butoxyethoxy)butan-2-amine
CID 61351775
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine
CID 104560997
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propanethioamide
CID 104561989
tert-butyl 2-(2-butoxyethoxy)propanoate
CID 66337185

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol?
The IUPAC name of 1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol (CID 175356335) is 1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol.
What is the SMILES notation for 1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol?
The canonical SMILES for 1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol is CCCCOCCOC(O)C(OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol?
The InChIKey is NEIYLFAEOXPTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O6/c1-8-9-10-19-11-12-20-16(18)17(21-13(2)3,22-14(4)5)23-15(6)7/h13-16,18H,8-12H2,1-7H3.
What are the key properties of 1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol?
1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol has a molecular weight of 336.47 g/mol, XLogP of 3.07, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-2,2,2-tri(propan-2-yloxy)ethanol is sourced from PubChem (CID 175356335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).