cyclopentylmethyl acetate

C8H14O2 — CID 13240739

IUPACcyclopentylmethyl acetate
SMILESCC(=O)OCC1CCCC1
InChIInChI=1S/C8H14O2/c1-7(9)10-6-8-4-2-3-5-8/h8H,2-6H2,1H3
InChIKeyJOULUEKBYUXFFZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.74
Rot. Bonds2

About cyclopentylmethyl acetate

cyclopentylmethyl acetate (PubChem CID 13240739) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is cyclopentylmethyl acetate.

Molecular Properties

Compound Namecyclopentylmethyl acetate
PubChem CID13240739
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namecyclopentylmethyl acetate
SMILESCC(=O)OCC1CCCC1
InChIInChI=1S/C8H14O2/c1-7(9)10-6-8-4-2-3-5-8/h8H,2-6H2,1H3
InChIKeyJOULUEKBYUXFFZ-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl acetate?
The IUPAC name of cyclopentylmethyl acetate (CID 13240739) is cyclopentylmethyl acetate.
What is the SMILES notation for cyclopentylmethyl acetate?
The canonical SMILES for cyclopentylmethyl acetate is CC(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl acetate?
The InChIKey is JOULUEKBYUXFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(9)10-6-8-4-2-3-5-8/h8H,2-6H2,1H3.
What are the key properties of cyclopentylmethyl acetate?
cyclopentylmethyl acetate has a molecular weight of 142.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl acetate is sourced from PubChem (CID 13240739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).