1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate

C15H28O3 — CID 176856964

IUPAC1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate
SMILESCCC(C)(CC)C(=O)OC(C)OC1CCCCC1
InChIInChI=1S/C15H28O3/c1-5-15(4,6-2)14(16)18-12(3)17-13-10-8-7-9-11-13/h12-13H,5-11H2,1-4H3
InChIKeyRLUWDPKAQRXLNK-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.05
Rot. Bonds6

About 1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate

1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate (PubChem CID 176856964) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate.

Molecular Properties

Compound Name1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate
PubChem CID176856964
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate
SMILESCCC(C)(CC)C(=O)OC(C)OC1CCCCC1
InChIInChI=1S/C15H28O3/c1-5-15(4,6-2)14(16)18-12(3)17-13-10-8-7-9-11-13/h12-13H,5-11H2,1-4H3
InChIKeyRLUWDPKAQRXLNK-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.05
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
1-cyclohexyloxyethyl acetate
CID 58944366
1-cyclopentyloxyethyl acetate
CID 58944284
(1-cyclohexyloxy-3-methylbutyl) 2-methyl-2-propylpentanoate
CID 123853754
cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate
CID 134286062
butan-2-yloxycyclohexane;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate
CID 169429935
1-cyclohexyloxypropyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 123586201
1-cyclopentyloxyethyl 2-methylprop-2-enoate
CID 68973043
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 71201522
(1-cyclohexyloxy-3,3-dimethylbutyl) 2-tert-butyl-2,4-dimethylpentanoate
CID 144560546
[4-(1-ethoxyethoxy)cyclohexyl] 2,2-dimethylbutanoate
CID 58040859
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate?
The IUPAC name of 1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate (CID 176856964) is 1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate.
What is the SMILES notation for 1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate?
The canonical SMILES for 1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate is CCC(C)(CC)C(=O)OC(C)OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate?
The InChIKey is RLUWDPKAQRXLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-5-15(4,6-2)14(16)18-12(3)17-13-10-8-7-9-11-13/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate?
1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate has a molecular weight of 256.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate is sourced from PubChem (CID 176856964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).