(1-cyclohexylcyclopentyl) acetate

C13H22O2 — CID 12039389

IUPAC(1-cyclohexylcyclopentyl) acetate
SMILESCC(=O)OC1(C2CCCCC2)CCCC1
InChIInChI=1S/C13H22O2/c1-11(14)15-13(9-5-6-10-13)12-7-3-2-4-8-12/h12H,2-10H2,1H3
InChIKeyPHBYQOYBLVUCNC-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.44
Rot. Bonds2

About (1-cyclohexylcyclopentyl) acetate

(1-cyclohexylcyclopentyl) acetate (PubChem CID 12039389) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1-cyclohexylcyclopentyl) acetate.

Molecular Properties

Compound Name(1-cyclohexylcyclopentyl) acetate
PubChem CID12039389
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1-cyclohexylcyclopentyl) acetate
SMILESCC(=O)OC1(C2CCCCC2)CCCC1
InChIInChI=1S/C13H22O2/c1-11(14)15-13(9-5-6-10-13)12-7-3-2-4-8-12/h12H,2-10H2,1H3
InChIKeyPHBYQOYBLVUCNC-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylcyclopentyl) acetate?
The IUPAC name of (1-cyclohexylcyclopentyl) acetate (CID 12039389) is (1-cyclohexylcyclopentyl) acetate.
What is the SMILES notation for (1-cyclohexylcyclopentyl) acetate?
The canonical SMILES for (1-cyclohexylcyclopentyl) acetate is CC(=O)OC1(C2CCCCC2)CCCC1.
What is the InChIKey of (1-cyclohexylcyclopentyl) acetate?
The InChIKey is PHBYQOYBLVUCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(14)15-13(9-5-6-10-13)12-7-3-2-4-8-12/h12H,2-10H2,1H3.
What are the key properties of (1-cyclohexylcyclopentyl) acetate?
(1-cyclohexylcyclopentyl) acetate has a molecular weight of 210.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylcyclopentyl) acetate is sourced from PubChem (CID 12039389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).