cyanomethyl 2-cyclohexylacetate

C10H15NO2 — CID 101408563

IUPACcyanomethyl 2-cyclohexylacetate
SMILESN#CCOC(=O)CC1CCCCC1
InChIInChI=1S/C10H15NO2/c11-6-7-13-10(12)8-9-4-2-1-3-5-9/h9H,1-5,7-8H2
InChIKeyGJFDZOSVWMUKGE-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.02
Rot. Bonds3

About cyanomethyl 2-cyclohexylacetate

cyanomethyl 2-cyclohexylacetate (PubChem CID 101408563) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is cyanomethyl 2-cyclohexylacetate.

Molecular Properties

Compound Namecyanomethyl 2-cyclohexylacetate
PubChem CID101408563
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namecyanomethyl 2-cyclohexylacetate
SMILESN#CCOC(=O)CC1CCCCC1
InChIInChI=1S/C10H15NO2/c11-6-7-13-10(12)8-9-4-2-1-3-5-9/h9H,1-5,7-8H2
InChIKeyGJFDZOSVWMUKGE-UHFFFAOYSA-N
XLogP2.02
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate
CID 153456033
(4-cyanophenyl)methyl 2-cyclopentylacetate
CID 2405362
(2-cyclohexylacetyl)oxymethyl 2-methylpropanoate
CID 121486100
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
2-[2-[2-(2-cyclohexylacetyl)oxyethoxy]cyclohexyl]oxyethyl 2-cyclohexylacetate
CID 153456013
cyclopentyl 2-cyclohexylacetate;hydrochloride
CID 174567498
cyanomethyl piperidine-2-carboxylate
CID 141438271
2-cyclodecylacetamide
CID 150110792
(3,5-diaminophenyl)methyl 2-cyclohexylacetate
CID 89125069
trifluoromethylsulfonyloxymethyl 2-cyclohexylacetate
CID 151994272
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
nitro 2-cycloheptylacetate
CID 175609649

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2-cyclohexylacetate?
The IUPAC name of cyanomethyl 2-cyclohexylacetate (CID 101408563) is cyanomethyl 2-cyclohexylacetate.
What is the SMILES notation for cyanomethyl 2-cyclohexylacetate?
The canonical SMILES for cyanomethyl 2-cyclohexylacetate is N#CCOC(=O)CC1CCCCC1.
What is the InChIKey of cyanomethyl 2-cyclohexylacetate?
The InChIKey is GJFDZOSVWMUKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c11-6-7-13-10(12)8-9-4-2-1-3-5-9/h9H,1-5,7-8H2.
What are the key properties of cyanomethyl 2-cyclohexylacetate?
cyanomethyl 2-cyclohexylacetate has a molecular weight of 181.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2-cyclohexylacetate is sourced from PubChem (CID 101408563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).