methyl 2-cyclopentylacetate

C8H14O2 — CID 12512040

IUPACmethyl 2-cyclopentylacetate
SMILESCOC(=O)CC1CCCC1
InChIInChI=1S/C8H14O2/c1-10-8(9)6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyILSNISVKFYYCCE-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.74
Rot. Bonds2

About methyl 2-cyclopentylacetate

methyl 2-cyclopentylacetate (PubChem CID 12512040) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is methyl 2-cyclopentylacetate.

Molecular Properties

Compound Namemethyl 2-cyclopentylacetate
PubChem CID12512040
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namemethyl 2-cyclopentylacetate
SMILESCOC(=O)CC1CCCC1
InChIInChI=1S/C8H14O2/c1-10-8(9)6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyILSNISVKFYYCCE-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 methyl 2-cyclopentylacetate?
The IUPAC name of methyl 2-cyclopentylacetate (CID 12512040) is methyl 2-cyclopentylacetate.
What is the SMILES notation for methyl 2-cyclopentylacetate?
The canonical SMILES for methyl 2-cyclopentylacetate is COC(=O)CC1CCCC1.
What is the InChIKey of methyl 2-cyclopentylacetate?
The InChIKey is ILSNISVKFYYCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-10-8(9)6-7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of methyl 2-cyclopentylacetate?
methyl 2-cyclopentylacetate 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 methyl 2-cyclopentylacetate is sourced from PubChem (CID 12512040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).