ethyl 2-cyclohexyl-2-methoxypropanoate

C12H22O3 — CID 141336276

IUPACethyl 2-cyclohexyl-2-methoxypropanoate
SMILESCCOC(=O)C(C)(OC)C1CCCCC1
InChIInChI=1S/C12H22O3/c1-4-15-11(13)12(2,14-3)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3
InChIKeyZIOAGNWSMCISEK-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds4

About ethyl 2-cyclohexyl-2-methoxypropanoate

ethyl 2-cyclohexyl-2-methoxypropanoate (PubChem CID 141336276) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-2-methoxypropanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-2-methoxypropanoate
PubChem CID141336276
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameethyl 2-cyclohexyl-2-methoxypropanoate
SMILESCCOC(=O)C(C)(OC)C1CCCCC1
InChIInChI=1S/C12H22O3/c1-4-15-11(13)12(2,14-3)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3
InChIKeyZIOAGNWSMCISEK-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-2-methoxypropanoate?
The IUPAC name of ethyl 2-cyclohexyl-2-methoxypropanoate (CID 141336276) is ethyl 2-cyclohexyl-2-methoxypropanoate.
What is the SMILES notation for ethyl 2-cyclohexyl-2-methoxypropanoate?
The canonical SMILES for ethyl 2-cyclohexyl-2-methoxypropanoate is CCOC(=O)C(C)(OC)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-2-methoxypropanoate?
The InChIKey is ZIOAGNWSMCISEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-15-11(13)12(2,14-3)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 2-cyclohexyl-2-methoxypropanoate?
ethyl 2-cyclohexyl-2-methoxypropanoate has a molecular weight of 214.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-2-methoxypropanoate is sourced from PubChem (CID 141336276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).