2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol

C13H28O2 — CID 168837690

IUPAC2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol
SMILESCC(C)(C)CC(CC(C)(C)C)OCCO
InChIInChI=1S/C13H28O2/c1-12(2,3)9-11(15-8-7-14)10-13(4,5)6/h11,14H,7-10H2,1-6H3
InChIKeyPDGCLZSGZPOWLO-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.24
Rot. Bonds5

About 2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol

2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol (PubChem CID 168837690) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol
PubChem CID168837690
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol
SMILESCC(C)(C)CC(CC(C)(C)C)OCCO
InChIInChI=1S/C13H28O2/c1-12(2,3)9-11(15-8-7-14)10-13(4,5)6/h11,14H,7-10H2,1-6H3
InChIKeyPDGCLZSGZPOWLO-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
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CID 23027937
5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol
CID 20523698
2-docosan-10-yloxyethanol
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[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate
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CID 87839314

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol?
The IUPAC name of 2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol (CID 168837690) is 2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol.
What is the SMILES notation for 2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol?
The canonical SMILES for 2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol is CC(C)(C)CC(CC(C)(C)C)OCCO.
What is the InChIKey of 2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol?
The InChIKey is PDGCLZSGZPOWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-12(2,3)9-11(15-8-7-14)10-13(4,5)6/h11,14H,7-10H2,1-6H3.
What are the key properties of 2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol?
2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol has a molecular weight of 216.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol is sourced from PubChem (CID 168837690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).