1-[(2-methylpropan-2-yl)oxy]butan-2-ol

C8H18O2 — CID 11829590

IUPAC1-[(2-methylpropan-2-yl)oxy]butan-2-ol
SMILESCCC(O)COC(C)(C)C
InChIInChI=1S/C8H18O2/c1-5-7(9)6-10-8(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyQTXZTRIEQIRTAK-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.57
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxy]butan-2-ol

1-[(2-methylpropan-2-yl)oxy]butan-2-ol (PubChem CID 11829590) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]butan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]butan-2-ol
PubChem CID11829590
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1-[(2-methylpropan-2-yl)oxy]butan-2-ol
SMILESCCC(O)COC(C)(C)C
InChIInChI=1S/C8H18O2/c1-5-7(9)6-10-8(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyQTXZTRIEQIRTAK-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]butan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]butan-2-ol (CID 11829590) is 1-[(2-methylpropan-2-yl)oxy]butan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]butan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]butan-2-ol is CCC(O)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]butan-2-ol?
The InChIKey is QTXZTRIEQIRTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-7(9)6-10-8(2,3)4/h7,9H,5-6H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]butan-2-ol?
1-[(2-methylpropan-2-yl)oxy]butan-2-ol has a molecular weight of 146.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]butan-2-ol is sourced from PubChem (CID 11829590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).