2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol

C12H26O2 — CID 142712545

IUPAC2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol
SMILESCC(C)C(C)C(C)C(C)(C)OCCO
InChIInChI=1S/C12H26O2/c1-9(2)10(3)11(4)12(5,6)14-8-7-13/h9-11,13H,7-8H2,1-6H3
InChIKeyMTOALMSTDWSXQK-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.70
Rot. Bonds6

About 2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol

2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol (PubChem CID 142712545) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol.

Molecular Properties

Compound Name2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol
PubChem CID142712545
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol
SMILESCC(C)C(C)C(C)C(C)(C)OCCO
InChIInChI=1S/C12H26O2/c1-9(2)10(3)11(4)12(5,6)14-8-7-13/h9-11,13H,7-8H2,1-6H3
InChIKeyMTOALMSTDWSXQK-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol?
The IUPAC name of 2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol (CID 142712545) is 2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol.
What is the SMILES notation for 2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol?
The canonical SMILES for 2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol is CC(C)C(C)C(C)C(C)(C)OCCO.
What is the InChIKey of 2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol?
The InChIKey is MTOALMSTDWSXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-9(2)10(3)11(4)12(5,6)14-8-7-13/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol?
2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol has a molecular weight of 202.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol is sourced from PubChem (CID 142712545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).