(1-methylcyclopentyl) acetate

C8H14O2 — CID 538233

IUPAC(1-methylcyclopentyl) acetate
SMILESCC(=O)OC1(C)CCCC1
InChIInChI=1S/C8H14O2/c1-7(9)10-8(2)5-3-4-6-8/h3-6H2,1-2H3
InChIKeyIZJQMOGXWFIYFU-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.88
Rot. Bonds1

About (1-methylcyclopentyl) acetate

(1-methylcyclopentyl) acetate (PubChem CID 538233) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1-methylcyclopentyl) acetate.

Molecular Properties

Compound Name(1-methylcyclopentyl) acetate
PubChem CID538233
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1-methylcyclopentyl) acetate
SMILESCC(=O)OC1(C)CCCC1
InChIInChI=1S/C8H14O2/c1-7(9)10-8(2)5-3-4-6-8/h3-6H2,1-2H3
InChIKeyIZJQMOGXWFIYFU-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) acetate?
The IUPAC name of (1-methylcyclopentyl) acetate (CID 538233) is (1-methylcyclopentyl) acetate.
What is the SMILES notation for (1-methylcyclopentyl) acetate?
The canonical SMILES for (1-methylcyclopentyl) acetate is CC(=O)OC1(C)CCCC1.
What is the InChIKey of (1-methylcyclopentyl) acetate?
The InChIKey is IZJQMOGXWFIYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(9)10-8(2)5-3-4-6-8/h3-6H2,1-2H3.
What are the key properties of (1-methylcyclopentyl) acetate?
(1-methylcyclopentyl) acetate has a molecular weight of 142.20 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) acetate is sourced from PubChem (CID 538233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).