3-[(2-methylpropan-2-yl)oxy]pentane

C9H20O — CID 22151662

IUPAC3-[(2-methylpropan-2-yl)oxy]pentane
SMILESCCC(CC)OC(C)(C)C
InChIInChI=1S/C9H20O/c1-6-8(7-2)10-9(3,4)5/h8H,6-7H2,1-5H3
InChIKeyMKIJPGLGJFUOBQ-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.99
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxy]pentane

3-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 22151662) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID22151662
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3-[(2-methylpropan-2-yl)oxy]pentane
SMILESCCC(CC)OC(C)(C)C
InChIInChI=1S/C9H20O/c1-6-8(7-2)10-9(3,4)5/h8H,6-7H2,1-5H3
InChIKeyMKIJPGLGJFUOBQ-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]pentane (CID 22151662) is 3-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]pentane is CCC(CC)OC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is MKIJPGLGJFUOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-6-8(7-2)10-9(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]pentane?
3-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 144.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 22151662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).