(1-cyclohexyl-2-oxoethyl) acetate

C10H16O3 — CID 10986960

IUPAC(1-cyclohexyl-2-oxoethyl) acetate
SMILESCC(=O)OC(C=O)C1CCCCC1
InChIInChI=1S/C10H16O3/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h7,9-10H,2-6H2,1H3
InChIKeyCACKOYDJWUSNBL-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.70
Rot. Bonds3

About (1-cyclohexyl-2-oxoethyl) acetate

(1-cyclohexyl-2-oxoethyl) acetate (PubChem CID 10986960) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1-cyclohexyl-2-oxoethyl) acetate.

Molecular Properties

Compound Name(1-cyclohexyl-2-oxoethyl) acetate
PubChem CID10986960
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(1-cyclohexyl-2-oxoethyl) acetate
SMILESCC(=O)OC(C=O)C1CCCCC1
InChIInChI=1S/C10H16O3/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h7,9-10H,2-6H2,1H3
InChIKeyCACKOYDJWUSNBL-UHFFFAOYSA-N
XLogP1.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-oxoethyl) acetate?
The IUPAC name of (1-cyclohexyl-2-oxoethyl) acetate (CID 10986960) is (1-cyclohexyl-2-oxoethyl) acetate.
What is the SMILES notation for (1-cyclohexyl-2-oxoethyl) acetate?
The canonical SMILES for (1-cyclohexyl-2-oxoethyl) acetate is CC(=O)OC(C=O)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2-oxoethyl) acetate?
The InChIKey is CACKOYDJWUSNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h7,9-10H,2-6H2,1H3.
What are the key properties of (1-cyclohexyl-2-oxoethyl) acetate?
(1-cyclohexyl-2-oxoethyl) acetate has a molecular weight of 184.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2-oxoethyl) acetate is sourced from PubChem (CID 10986960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).