2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol

C6H14O2 — CID 169435198

IUPAC2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OCCO
InChIInChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,5D2
InChIKeyPOAOYUHQDCAZBD-CIPAQKFXSA-N
MW127.23 g/mol
LogP0.80
Rot. Bonds6

About 2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol

2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol (PubChem CID 169435198) has the molecular formula C6H14O2 and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol
PubChem CID169435198
Molecular FormulaC6H14O2
Molecular Weight127.23 g/mol
Exact Mass127.16
IUPAC Name2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OCCO
InChIInChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,5D2
InChIKeyPOAOYUHQDCAZBD-CIPAQKFXSA-N
XLogP0.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
deuteriomethane;2-(2-hydroxyethoxy)ethanol
CID 86287438
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
CID 159345993
CID 159345993
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol
CID 100996608
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
magnesium;hydride;2-(2-hydroxyethoxy)ethanol
CID 175108032
bis(diethyl(trihydroxy)-λ5-phosphane);2-(2-hydroxyethoxy)ethanol
CID 88817150

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol (CID 169435198) is 2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol is [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OCCO.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol?
The InChIKey is POAOYUHQDCAZBD-CIPAQKFXSA-N. The full InChI is InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,5D2.
What are the key properties of 2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol?
2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol has a molecular weight of 127.23 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol is sourced from PubChem (CID 169435198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).