(2S)-2-[(2-methylpropan-2-yl)oxy]butane

C8H18O — CID 59134870

IUPAC(2S)-2-[(2-methylpropan-2-yl)oxy]butane
SMILESCC[C@H](C)OC(C)(C)C
InChIInChI=1S/C8H18O/c1-6-7(2)9-8(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyWMZNUJPPIPVIOD-ZETCQYMHSA-N
MW130.23 g/mol
LogP2.60
Rot. Bonds2

About (2S)-2-[(2-methylpropan-2-yl)oxy]butane

(2S)-2-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 59134870) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is (2S)-2-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name(2S)-2-[(2-methylpropan-2-yl)oxy]butane
PubChem CID59134870
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxy]butane
SMILESCC[C@H](C)OC(C)(C)C
InChIInChI=1S/C8H18O/c1-6-7(2)9-8(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyWMZNUJPPIPVIOD-ZETCQYMHSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxy]butane (CID 59134870) is (2S)-2-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for (2S)-2-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for (2S)-2-[(2-methylpropan-2-yl)oxy]butane is CC[C@H](C)OC(C)(C)C.
What is the InChIKey of (2S)-2-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is WMZNUJPPIPVIOD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18O/c1-6-7(2)9-8(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpropan-2-yl)oxy]butane?
(2S)-2-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 130.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 59134870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).