3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane

C18H38O — CID 123361756

IUPAC3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane
SMILESCC(OC(C)(C)C(C)C)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38O/c1-13(2)18(10,11)19-14(3)15(17(7,8)9)12-16(4,5)6/h13-15H,12H2,1-11H3
InChIKeyQYCITTNBHJGVFX-UHFFFAOYSA-N
MW270.50 g/mol
LogP5.92
Rot. Bonds5

About 3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane

3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane (PubChem CID 123361756) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane.

Molecular Properties

Compound Name3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane
PubChem CID123361756
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane
SMILESCC(OC(C)(C)C(C)C)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38O/c1-13(2)18(10,11)19-14(3)15(17(7,8)9)12-16(4,5)6/h13-15H,12H2,1-11H3
InChIKeyQYCITTNBHJGVFX-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane?
The IUPAC name of 3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane (CID 123361756) is 3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane.
What is the SMILES notation for 3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane?
The canonical SMILES for 3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane is CC(OC(C)(C)C(C)C)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane?
The InChIKey is QYCITTNBHJGVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-13(2)18(10,11)19-14(3)15(17(7,8)9)12-16(4,5)6/h13-15H,12H2,1-11H3.
What are the key properties of 3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane?
3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane has a molecular weight of 270.50 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-2,2,5,5-tetramethylhexane is sourced from PubChem (CID 123361756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).