ethyl 2-cyclohexylacetate

C10H18O2 — CID 21595

IUPACethyl 2-cyclohexylacetate
SMILESCCOC(=O)CC1CCCCC1
InChIInChI=1S/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyZBDAMDWKXGTKBT-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds3

About ethyl 2-cyclohexylacetate

ethyl 2-cyclohexylacetate (PubChem CID 21595) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethyl 2-cyclohexylacetate.

Molecular Properties

Compound Nameethyl 2-cyclohexylacetate
PubChem CID21595
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethyl 2-cyclohexylacetate
SMILESCCOC(=O)CC1CCCCC1
InChIInChI=1S/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyZBDAMDWKXGTKBT-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexylacetate?
The IUPAC name of ethyl 2-cyclohexylacetate (CID 21595) is ethyl 2-cyclohexylacetate.
What is the SMILES notation for ethyl 2-cyclohexylacetate?
The canonical SMILES for ethyl 2-cyclohexylacetate is CCOC(=O)CC1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexylacetate?
The InChIKey is ZBDAMDWKXGTKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of ethyl 2-cyclohexylacetate?
ethyl 2-cyclohexylacetate has a molecular weight of 170.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexylacetate is sourced from PubChem (CID 21595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).