2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile

C13H23NO — CID 19762355

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile
SMILESCC1CCC(C(C)C)C(OC(C)C#N)C1
InChIInChI=1S/C13H23NO/c1-9(2)12-6-5-10(3)7-13(12)15-11(4)8-14/h9-13H,5-7H2,1-4H3
InChIKeyRDLGYIACPQSWBW-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.38
Rot. Bonds3

About 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile

2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile (PubChem CID 19762355) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile
PubChem CID19762355
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile
SMILESCC1CCC(C(C)C)C(OC(C)C#N)C1
InChIInChI=1S/C13H23NO/c1-9(2)12-6-5-10(3)7-13(12)15-11(4)8-14/h9-13H,5-7H2,1-4H3
InChIKeyRDLGYIACPQSWBW-UHFFFAOYSA-N
XLogP3.38
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Menthyl methyl ether, (-)-
CID 228343
1-Menthyl methyl ether
CID 102648
Cyclohexane, 2-ethoxy-4-methyl-1-(1-methylethyl)-
CID 9794074
(1S,2R,4R)-2-Ethoxy-4-methyl-1-(1-methylethyl)cyclohexane
CID 11086237
t-Butyl menthyl ether
CID 14157599
4-Methyl-1-(propan-2-yl)-2-propoxycyclohexane
CID 54499043
Menthyl butyl ether
CID 70867659
(1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane
CID 134896296
4-Cyclohexyl-2-fluoro-6-methoxycyclohexane-1-carbonitrile
CID 68400129
5-Methyl-2-(propan-2-yl)cyclohexyl cyanoacetate
CID 2750806
[(2-Isopropyl-5-methylcyclohexyl)oxy]acetonitrile
CID 11052548
2-(Isocyanomethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 11805629

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile?
The IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile (CID 19762355) is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile is CC1CCC(C(C)C)C(OC(C)C#N)C1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile?
The InChIKey is RDLGYIACPQSWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(2)12-6-5-10(3)7-13(12)15-11(4)8-14/h9-13H,5-7H2,1-4H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile?
2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile has a molecular weight of 209.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanenitrile is sourced from PubChem (CID 19762355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).