(1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate

C20H38O3 — CID 134286060

IUPAC(1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate
SMILESCCC(C)(CC(C)C)C(=O)OC(OC1CCCCC1)C(C)(C)C
InChIInChI=1S/C20H38O3/c1-8-20(7,14-15(2)3)17(21)23-18(19(4,5)6)22-16-12-10-9-11-13-16/h15-16,18H,8-14H2,1-7H3
InChIKeyJFEVWCZNADXVQU-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.71
Rot. Bonds7

About (1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate

(1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate (PubChem CID 134286060) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is (1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate.

Molecular Properties

Compound Name(1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate
PubChem CID134286060
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name(1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate
SMILESCCC(C)(CC(C)C)C(=O)OC(OC1CCCCC1)C(C)(C)C
InChIInChI=1S/C20H38O3/c1-8-20(7,14-15(2)3)17(21)23-18(19(4,5)6)22-16-12-10-9-11-13-16/h15-16,18H,8-14H2,1-7H3
InChIKeyJFEVWCZNADXVQU-UHFFFAOYSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate
CID 176856964
cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate
CID 134286062
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 71201522
(1-cyclohexyloxy-3,3-dimethylbutyl) 2-tert-butyl-2,4-dimethylpentanoate
CID 144560546
(1-cyclohexyloxy-3-methylbutyl) 2-methyl-2-propylpentanoate
CID 123853754
(1-cyclohexyloxy-2,2-dimethylpropyl) 4-(2-methylbutan-2-yl)benzoate
CID 118067347
2-[2-(2-ethyl-2,4-dimethylpentanoyl)oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 123665169
tert-butyl 2-ethyl-2,4-dimethylpentanoate
CID 90805514
butan-2-yloxycyclohexane;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate
CID 169429935
1-cyclohexyloxypropyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 123586201
2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 134286032
(8-butyl-8-tricyclo[5.2.1.02,6]decanyl) 2-ethyl-2,4-dimethylpentanoate
CID 144994512

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate?
The IUPAC name of (1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate (CID 134286060) is (1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate.
What is the SMILES notation for (1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate?
The canonical SMILES for (1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate is CCC(C)(CC(C)C)C(=O)OC(OC1CCCCC1)C(C)(C)C.
What is the InChIKey of (1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate?
The InChIKey is JFEVWCZNADXVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-8-20(7,14-15(2)3)17(21)23-18(19(4,5)6)22-16-12-10-9-11-13-16/h15-16,18H,8-14H2,1-7H3.
What are the key properties of (1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate?
(1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate has a molecular weight of 326.52 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate is sourced from PubChem (CID 134286060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).