2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane

C13H28O — CID 149345110

IUPAC2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(COC(C)(C)C)C(C)C(C)(C)C
InChIInChI=1S/C13H28O/c1-10(9-14-13(6,7)8)11(2)12(3,4)5/h10-11H,9H2,1-8H3
InChIKeyYEXNTLYVFNUDBI-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.12
Rot. Bonds3

About 2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane

2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 149345110) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID149345110
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(COC(C)(C)C)C(C)C(C)(C)C
InChIInChI=1S/C13H28O/c1-10(9-14-13(6,7)8)11(2)12(3,4)5/h10-11H,9H2,1-8H3
InChIKeyYEXNTLYVFNUDBI-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane (CID 149345110) is 2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane is CC(COC(C)(C)C)C(C)C(C)(C)C.
What is the InChIKey of 2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is YEXNTLYVFNUDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-10(9-14-13(6,7)8)11(2)12(3,4)5/h10-11H,9H2,1-8H3.
What are the key properties of 2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane?
2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 200.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 149345110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).