tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate

C20H36O3 — CID 139810711

IUPACtert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate
SMILESCC1CCC(OC(C(=O)OC(C)(C)C)C2CCC(C)CC2)CC1
InChIInChI=1S/C20H36O3/c1-14-6-10-16(11-7-14)18(19(21)23-20(3,4)5)22-17-12-8-15(2)9-13-17/h14-18H,6-13H2,1-5H3
InChIKeyLSYYKWWJUZWPTG-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.12
Rot. Bonds4

About tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate

tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate (PubChem CID 139810711) has the molecular formula C20H36O3 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate
PubChem CID139810711
Molecular FormulaC20H36O3
Molecular Weight324.51 g/mol
Exact Mass324.27
IUPAC Nametert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate
SMILESCC1CCC(OC(C(=O)OC(C)(C)C)C2CCC(C)CC2)CC1
InChIInChI=1S/C20H36O3/c1-14-6-10-16(11-7-14)18(19(21)23-20(3,4)5)22-17-12-8-15(2)9-13-17/h14-18H,6-13H2,1-5H3
InChIKeyLSYYKWWJUZWPTG-UHFFFAOYSA-N
XLogP5.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ditert-butyl 2,15-dicyclopropylhexadecanedioate
CID 66795575
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate
CID 79356559
tert-butyl 2-cyclopentylpropanoate
CID 142496420
tert-butyl carbamate;methylcyclohexane
CID 143641656
tert-butyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoate
CID 66339015
tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate
CID 103903777
tert-butyl 4-cyclohexyl-4-methoxy-2-methyl-3-oxobutanoate
CID 116775028
(2R)-2-(4-methylcyclohexyl)propanoic acid
CID 96631531
2-cyclopropyl-2-ethoxy-1-(4-methylcyclohexyl)ethanone
CID 116709436
tert-butyl 2-[1-cyclopropylethyl(methyl)amino]propanoate
CID 64689346
dimethyl 2-(4-methylcyclohexyl)propanedioate
CID 103972492

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate?
The IUPAC name of tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate (CID 139810711) is tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate.
What is the SMILES notation for tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate?
The canonical SMILES for tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate is CC1CCC(OC(C(=O)OC(C)(C)C)C2CCC(C)CC2)CC1.
What is the InChIKey of tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate?
The InChIKey is LSYYKWWJUZWPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3/c1-14-6-10-16(11-7-14)18(19(21)23-20(3,4)5)22-17-12-8-15(2)9-13-17/h14-18H,6-13H2,1-5H3.
What are the key properties of tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate?
tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate has a molecular weight of 324.51 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-methylcyclohexyl)-2-(4-methylcyclohexyl)oxyacetate is sourced from PubChem (CID 139810711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).