2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile

C10H17NO2 — CID 135162146

IUPAC2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile
SMILESCC(C)(O)C1CC[C@H](CC#N)CO1
InChIInChI=1S/C10H17NO2/c1-10(2,12)9-4-3-8(5-6-11)7-13-9/h8-9,12H,3-5,7H2,1-2H3/t8-,9?/m1/s1
InChIKeyBVQOJFXOOOBDIZ-VEDVMXKPSA-N
MW183.25 g/mol
LogP1.47
Rot. Bonds2

About 2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile

2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile (PubChem CID 135162146) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile
PubChem CID135162146
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile
SMILESCC(C)(O)C1CC[C@H](CC#N)CO1
InChIInChI=1S/C10H17NO2/c1-10(2,12)9-4-3-8(5-6-11)7-13-9/h8-9,12H,3-5,7H2,1-2H3/t8-,9?/m1/s1
InChIKeyBVQOJFXOOOBDIZ-VEDVMXKPSA-N
XLogP1.47
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile?
The IUPAC name of 2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile (CID 135162146) is 2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile.
What is the SMILES notation for 2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile?
The canonical SMILES for 2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile is CC(C)(O)C1CC[C@H](CC#N)CO1.
What is the InChIKey of 2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile?
The InChIKey is BVQOJFXOOOBDIZ-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,12)9-4-3-8(5-6-11)7-13-9/h8-9,12H,3-5,7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of 2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile?
2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile has a molecular weight of 183.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]acetonitrile is sourced from PubChem (CID 135162146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).