tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate

C18H26O2 — CID 129363718

IUPACtert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate
SMILESCc1ccc([C@H](C(=O)OC(C)(C)C)C2CCCC2)cc1
InChIInChI=1S/C18H26O2/c1-13-9-11-15(12-10-13)16(14-7-5-6-8-14)17(19)20-18(2,3)4/h9-12,14,16H,5-8H2,1-4H3/t16-/m1/s1
InChIKeyWVUNBBJLJPVTBU-MRXNPFEDSA-N
MW274.40 g/mol
LogP4.61
Rot. Bonds3

About tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate

tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate (PubChem CID 129363718) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate
PubChem CID129363718
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Nametert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate
SMILESCc1ccc([C@H](C(=O)OC(C)(C)C)C2CCCC2)cc1
InChIInChI=1S/C18H26O2/c1-13-9-11-15(12-10-13)16(14-7-5-6-8-14)17(19)20-18(2,3)4/h9-12,14,16H,5-8H2,1-4H3/t16-/m1/s1
InChIKeyWVUNBBJLJPVTBU-MRXNPFEDSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-(3,3-difluorocyclopentyl)-2-(4-methylphenyl)acetate
CID 58136426
tert-butyl 2-cyclopentyl-2-[4-(3-hydroxyprop-1-enyl)phenyl]acetate
CID 54337064
tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate
CID 154630207
(2S)-2-(4-methylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]acetic acid
CID 169028130
pyrrolidin-3-yl 2-cyclohexyl-2-(4-methylphenyl)acetate
CID 141414414
tert-butyl 2-(4-methylphenyl)-2-phenylacetate
CID 142375777
ethyl (2S)-2-(4-bromophenyl)-2-cyclopentylacetate
CID 124638237
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-cyclopentyl-2-(4-methylphenyl)acetate
CID 58136656
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate
CID 125106455
tert-butyl 3-[amino-(4-methylphenyl)methyl]pyrrolidine-1-carboxylate
CID 105422160
tert-butyl (2S)-2-amino-3-(4-methylphenyl)butanoate
CID 138660183

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate?
The IUPAC name of tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate (CID 129363718) is tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate.
What is the SMILES notation for tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate?
The canonical SMILES for tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate is Cc1ccc([C@H](C(=O)OC(C)(C)C)C2CCCC2)cc1.
What is the InChIKey of tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate?
The InChIKey is WVUNBBJLJPVTBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26O2/c1-13-9-11-15(12-10-13)16(14-7-5-6-8-14)17(19)20-18(2,3)4/h9-12,14,16H,5-8H2,1-4H3/t16-/m1/s1.
What are the key properties of tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate?
tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate has a molecular weight of 274.40 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate is sourced from PubChem (CID 129363718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).