2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile

C10H17NO2 — CID 79934497

IUPAC2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile
SMILESCC1(C)CC(O)(CC#N)C(C)(C)O1
InChIInChI=1S/C10H17NO2/c1-8(2)7-10(12,5-6-11)9(3,4)13-8/h12H,5,7H2,1-4H3
InChIKeyHXMGULOQAWMFQD-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.61
Rot. Bonds1

About 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile

2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile (PubChem CID 79934497) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile
PubChem CID79934497
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile
SMILESCC1(C)CC(O)(CC#N)C(C)(C)O1
InChIInChI=1S/C10H17NO2/c1-8(2)7-10(12,5-6-11)9(3,4)13-8/h12H,5,7H2,1-4H3
InChIKeyHXMGULOQAWMFQD-UHFFFAOYSA-N
XLogP1.61
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile?
The IUPAC name of 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile (CID 79934497) is 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile?
The canonical SMILES for 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile is CC1(C)CC(O)(CC#N)C(C)(C)O1.
What is the InChIKey of 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile?
The InChIKey is HXMGULOQAWMFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)7-10(12,5-6-11)9(3,4)13-8/h12H,5,7H2,1-4H3.
What are the key properties of 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile?
2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile has a molecular weight of 183.25 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile is sourced from PubChem (CID 79934497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).