(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol

C7H16O2 — CID 3086386

IUPAC(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
SMILESC[C@@H](CO)OC(C)(C)C
InChIInChI=1S/C7H16O2/c1-6(5-8)9-7(2,3)4/h6,8H,5H2,1-4H3/t6-/m0/s1
InChIKeyGIWJLGYZXWVBDL-LURJTMIESA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds2

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

(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol (PubChem CID 3086386) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
PubChem CID3086386
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
SMILESC[C@@H](CO)OC(C)(C)C
InChIInChI=1S/C7H16O2/c1-6(5-8)9-7(2,3)4/h6,8H,5H2,1-4H3/t6-/m0/s1
InChIKeyGIWJLGYZXWVBDL-LURJTMIESA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol (CID 3086386) is (2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol.
What is the SMILES notation for (2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The canonical SMILES for (2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol is C[C@@H](CO)OC(C)(C)C.
What is the InChIKey of (2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The InChIKey is GIWJLGYZXWVBDL-LURJTMIESA-N. The full InChI is InChI=1S/C7H16O2/c1-6(5-8)9-7(2,3)4/h6,8H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol has a molecular weight of 132.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol is sourced from PubChem (CID 3086386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).