ethyl 2-(4-tert-butylcyclohexyl)acetate

C14H26O2 — CID 15806501

IUPACethyl 2-(4-tert-butylcyclohexyl)acetate
SMILESCCOC(=O)CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H26O2/c1-5-16-13(15)10-11-6-8-12(9-7-11)14(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyHUCASCMDHZDSQH-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.79
Rot. Bonds3

About ethyl 2-(4-tert-butylcyclohexyl)acetate

ethyl 2-(4-tert-butylcyclohexyl)acetate (PubChem CID 15806501) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethyl 2-(4-tert-butylcyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-tert-butylcyclohexyl)acetate
PubChem CID15806501
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nameethyl 2-(4-tert-butylcyclohexyl)acetate
SMILESCCOC(=O)CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H26O2/c1-5-16-13(15)10-11-6-8-12(9-7-11)14(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyHUCASCMDHZDSQH-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-tert-butylcyclohexyl)acetate?
The IUPAC name of ethyl 2-(4-tert-butylcyclohexyl)acetate (CID 15806501) is ethyl 2-(4-tert-butylcyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(4-tert-butylcyclohexyl)acetate?
The canonical SMILES for ethyl 2-(4-tert-butylcyclohexyl)acetate is CCOC(=O)CC1CCC(C(C)(C)C)CC1.
What is the InChIKey of ethyl 2-(4-tert-butylcyclohexyl)acetate?
The InChIKey is HUCASCMDHZDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-16-13(15)10-11-6-8-12(9-7-11)14(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of ethyl 2-(4-tert-butylcyclohexyl)acetate?
ethyl 2-(4-tert-butylcyclohexyl)acetate has a molecular weight of 226.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-tert-butylcyclohexyl)acetate is sourced from PubChem (CID 15806501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).