4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile

C11H19NO2 — CID 65395208

IUPAC4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile
SMILESCC(C)OCCC1(C#N)CCOCC1
InChIInChI=1S/C11H19NO2/c1-10(2)14-8-5-11(9-12)3-6-13-7-4-11/h10H,3-8H2,1-2H3
InChIKeyDLJGQCQREOFKJY-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.12
Rot. Bonds4

About 4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile

4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile (PubChem CID 65395208) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile
PubChem CID65395208
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile
SMILESCC(C)OCCC1(C#N)CCOCC1
InChIInChI=1S/C11H19NO2/c1-10(2)14-8-5-11(9-12)3-6-13-7-4-11/h10H,3-8H2,1-2H3
InChIKeyDLJGQCQREOFKJY-UHFFFAOYSA-N
XLogP2.12
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carbonitrile
CID 65379131
4-butyloxane-4-carbonitrile
CID 65392922
4-(3,3-dimethylbutyl)oxane-4-carbonitrile
CID 65393336
4-(aminooxymethyl)oxane-4-carbonitrile
CID 167072211
4-(chloromethyl)oxane-4-carbonitrile
CID 130559171
3-(chloromethyl)-3-(2-propan-2-yloxyethyl)oxolane
CID 66035244
N-[[4-(2-propan-2-yloxyethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62905041
3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carbonitrile
CID 65394387
4-(iodomethyl)-4-(2-propan-2-yloxyethoxy)oxane
CID 114773055
1-(2-methoxyethyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 65390369
3-[2-(4-bromophenoxy)ethyl]oxolane-3-carbonitrile
CID 65393555
N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719201

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile?
The IUPAC name of 4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile (CID 65395208) is 4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile.
What is the SMILES notation for 4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile?
The canonical SMILES for 4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile is CC(C)OCCC1(C#N)CCOCC1.
What is the InChIKey of 4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile?
The InChIKey is DLJGQCQREOFKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)14-8-5-11(9-12)3-6-13-7-4-11/h10H,3-8H2,1-2H3.
What are the key properties of 4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile?
4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile has a molecular weight of 197.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyethyl)oxane-4-carbonitrile is sourced from PubChem (CID 65395208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).