(2-cyclohexyl-2-oxoethyl) acetate

C10H16O3 — CID 4318486

IUPAC(2-cyclohexyl-2-oxoethyl) acetate
SMILESCC(=O)OCC(=O)C1CCCCC1
InChIInChI=1S/C10H16O3/c1-8(11)13-7-10(12)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyPUCQQLYULNUHJO-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds3

About (2-cyclohexyl-2-oxoethyl) acetate

(2-cyclohexyl-2-oxoethyl) acetate (PubChem CID 4318486) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2-cyclohexyl-2-oxoethyl) acetate.

Molecular Properties

Compound Name(2-cyclohexyl-2-oxoethyl) acetate
PubChem CID4318486
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2-cyclohexyl-2-oxoethyl) acetate
SMILESCC(=O)OCC(=O)C1CCCCC1
InChIInChI=1S/C10H16O3/c1-8(11)13-7-10(12)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyPUCQQLYULNUHJO-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 ≤ 500184.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-2-oxoethyl) acetate?
The IUPAC name of (2-cyclohexyl-2-oxoethyl) acetate (CID 4318486) is (2-cyclohexyl-2-oxoethyl) acetate.
What is the SMILES notation for (2-cyclohexyl-2-oxoethyl) acetate?
The canonical SMILES for (2-cyclohexyl-2-oxoethyl) acetate is CC(=O)OCC(=O)C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-2-oxoethyl) acetate?
The InChIKey is PUCQQLYULNUHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(11)13-7-10(12)9-5-3-2-4-6-9/h9H,2-7H2,1H3.
What are the key properties of (2-cyclohexyl-2-oxoethyl) acetate?
(2-cyclohexyl-2-oxoethyl) acetate has a molecular weight of 184.23 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 (2-cyclohexyl-2-oxoethyl) acetate is sourced from PubChem (CID 4318486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).