(2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate

C24H46O2 — CID 144704863

IUPAC(2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate
SMILESCCC(C)C(C)(CC)C(=O)OC1CC(C)C(C(C)(C)C)CC1C(C)(C)C
InChIInChI=1S/C24H46O2/c1-12-17(4)24(11,13-2)21(25)26-20-14-16(3)18(22(5,6)7)15-19(20)23(8,9)10/h16-20H,12-15H2,1-11H3
InChIKeyHMYVSDAXOJTTKZ-UHFFFAOYSA-N
MW366.63 g/mol
LogP7.12
Rot. Bonds5

About (2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate

(2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate (PubChem CID 144704863) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is (2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate.

Molecular Properties

Compound Name(2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate
PubChem CID144704863
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name(2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate
SMILESCCC(C)C(C)(CC)C(=O)OC1CC(C)C(C(C)(C)C)CC1C(C)(C)C
InChIInChI=1S/C24H46O2/c1-12-17(4)24(11,13-2)21(25)26-20-14-16(3)18(22(5,6)7)15-19(20)23(8,9)10/h16-20H,12-15H2,1-11H3
InChIKeyHMYVSDAXOJTTKZ-UHFFFAOYSA-N
XLogP7.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-ethyl-2,3-dimethylpentanoate
CID 23269301
2-(2,4-ditert-butyl-5-methylcyclohexyl)oxybutan-2-ylphosphane
CID 66815095
1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane
CID 144658339
(2,4-ditert-butylcyclohexyl) 2-but-2-en-2-yl-2,4-dimethylhexanoate
CID 144704905
[5,6-bis(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-ethyl-2,3-dimethylbutanoate
CID 123443798
tert-butyl 2-butan-2-yl-2,4,4-trimethylpentanoate
CID 123557963
1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane
CID 177164103
1-butan-2-yl-4-propan-2-ylbenzene;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(2,4-ditert-butyl-5-methylcyclohexyl) 2,2-dimethylbutanoate;(3,5-ditert-butylphenyl) 2,2-dimethylbutanoate;3,3-dimethylbutan-2-yl 2,2-dimethylbutanoate;2-methylpropyl 2,2-dimethylbutanoate
CID 159524180
[(1R,2S,5R)-2-tert-butyl-5-methylcyclohexyl] acetate
CID 58788414
(3,4,5-trimethylcyclohexyl) 2,2-dimethylbutanoate
CID 167692238
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxy-2-methylbutanoate
CID 10999687
(2-oxooxolan-3-yl) 2,3-dimethyl-2-propylpentanoate
CID 163604327

Frequently Asked Questions

What is the IUPAC name of (2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate?
The IUPAC name of (2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate (CID 144704863) is (2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate.
What is the SMILES notation for (2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate?
The canonical SMILES for (2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate is CCC(C)C(C)(CC)C(=O)OC1CC(C)C(C(C)(C)C)CC1C(C)(C)C.
What is the InChIKey of (2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate?
The InChIKey is HMYVSDAXOJTTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-12-17(4)24(11,13-2)21(25)26-20-14-16(3)18(22(5,6)7)15-19(20)23(8,9)10/h16-20H,12-15H2,1-11H3.
What are the key properties of (2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate?
(2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate has a molecular weight of 366.63 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate is sourced from PubChem (CID 144704863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).