ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate

C10H18O2 — CID 15760604

IUPACethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate
SMILESCCOC(=O)C[C@@H]1CCC[C@H]1C
InChIInChI=1S/C10H18O2/c1-3-12-10(11)7-9-6-4-5-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyHEROCQJPFUQDGC-BDAKNGLRSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds3

About ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate

ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate (PubChem CID 15760604) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate
PubChem CID15760604
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate
SMILESCCOC(=O)C[C@@H]1CCC[C@H]1C
InChIInChI=1S/C10H18O2/c1-3-12-10(11)7-9-6-4-5-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyHEROCQJPFUQDGC-BDAKNGLRSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate (CID 15760604) is ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate is CCOC(=O)C[C@@H]1CCC[C@H]1C.
What is the InChIKey of ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate?
The InChIKey is HEROCQJPFUQDGC-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-12-10(11)7-9-6-4-5-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate?
ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate has a molecular weight of 170.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,2R)-2-methylcyclopentyl]acetate is sourced from PubChem (CID 15760604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).