[2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate

C14H24O3 — CID 7054284

IUPAC[2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate
SMILESCCC(=O)OCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C
InChIInChI=1S/C14H24O3/c1-6-12(16)17-9-11(15)14(5)8-7-10(2)13(14,3)4/h10H,6-9H2,1-5H3/t10-,14+/m0/s1
InChIKeyRQELJROWWRKCPP-IINYFYTJSA-N
MW240.34 g/mol
LogP2.97
Rot. Bonds4

About [2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate

[2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate (PubChem CID 7054284) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is [2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate.

Molecular Properties

Compound Name[2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate
PubChem CID7054284
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name[2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate
SMILESCCC(=O)OCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C
InChIInChI=1S/C14H24O3/c1-6-12(16)17-9-11(15)14(5)8-7-10(2)13(14,3)4/h10H,6-9H2,1-5H3/t10-,14+/m0/s1
InChIKeyRQELJROWWRKCPP-IINYFYTJSA-N
XLogP2.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate
CID 7054286
[2-oxo-2-(1,2,2,3-tetramethylcyclopentyl)ethyl] acetate
CID 2750743
2-amino-1-(1,2,2,3-tetramethylcyclopentyl)ethanone
CID 2750733
2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone
CID 7054018
methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride
CID 2750729
1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide
CID 130030129
[2-oxo-2-[(1S,2S)-2,6,6-trimethylcycloheptyl]oxyethyl] propanoate
CID 102295912
[3-oxo-3-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]propyl] 4-nitrobenzoate
CID 7054309
3-hydroxy-1,3-bis(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-one
CID 2724557
ethane;4-hydroxybutyl (3R)-2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate
CID 154684442
[3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate
CID 24885943
[(2S)-2-methyloxiran-2-yl]methyl propanoate
CID 100919091

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate?
The IUPAC name of [2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate (CID 7054284) is [2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate.
What is the SMILES notation for [2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate?
The canonical SMILES for [2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate is CCC(=O)OCC(=O)[C@@]1(C)CC[C@H](C)C1(C)C.
What is the InChIKey of [2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate?
The InChIKey is RQELJROWWRKCPP-IINYFYTJSA-N. The full InChI is InChI=1S/C14H24O3/c1-6-12(16)17-9-11(15)14(5)8-7-10(2)13(14,3)4/h10H,6-9H2,1-5H3/t10-,14+/m0/s1.
What are the key properties of [2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate?
[2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate has a molecular weight of 240.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate is sourced from PubChem (CID 7054284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).