cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate

C16H30O3 — CID 134286062

IUPACcyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate
SMILESCCC(C)(CC(C)C)C(=O)OCOC1CCCCC1
InChIInChI=1S/C16H30O3/c1-5-16(4,11-13(2)3)15(17)19-12-18-14-9-7-6-8-10-14/h13-14H,5-12H2,1-4H3
InChIKeyNPWWPDYGCSFFNS-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.30
Rot. Bonds7

About cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate

cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate (PubChem CID 134286062) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate.

Molecular Properties

Compound Namecyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate
PubChem CID134286062
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Namecyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate
SMILESCCC(C)(CC(C)C)C(=O)OCOC1CCCCC1
InChIInChI=1S/C16H30O3/c1-5-16(4,11-13(2)3)15(17)19-12-18-14-9-7-6-8-10-14/h13-14H,5-12H2,1-4H3
InChIKeyNPWWPDYGCSFFNS-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate
CID 134286060
2-[2-(2-ethyl-2,4-dimethylpentanoyl)oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 123665169
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 71201522
cyclohexyloxymethyl 2-iodo-2-methyl-3-(methyliodanuidylamino)butanoate
CID 147043367
cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate
CID 161114200
1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate
CID 176856964
tert-butyl 2-ethyl-2,4-dimethylpentanoate
CID 90805514
[2-(cyclohexyloxymethoxy)-2-oxoethyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 123322640
cycloheptyloxymethyl 2,2-dimethylbutanoate;cycloheptyloxymethyl 2-methylbutanoate;cycloheptyloxymethyl 2-methyl-2-(trifluoromethyl)butanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2-methyl-2-(trifluoromethyl)butanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2-methyl-2-(trifluoromethyl)butanoate;methane
CID 157260103
ethane;2-[ethyl(propyl)amino]ethyl 2-ethyl-2,4-dimethylpentanoate
CID 142590813
2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 134286032
(1-cyclohexyloxy-3,3-dimethylbutyl) 2-tert-butyl-2,4-dimethylpentanoate
CID 144560546

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate?
The IUPAC name of cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate (CID 134286062) is cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate.
What is the SMILES notation for cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate?
The canonical SMILES for cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate is CCC(C)(CC(C)C)C(=O)OCOC1CCCCC1.
What is the InChIKey of cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate?
The InChIKey is NPWWPDYGCSFFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-5-16(4,11-13(2)3)15(17)19-12-18-14-9-7-6-8-10-14/h13-14H,5-12H2,1-4H3.
What are the key properties of cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate?
cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate has a molecular weight of 270.41 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate is sourced from PubChem (CID 134286062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).