tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate

C14H26O3 — CID 18414290

IUPACtert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate
SMILESCC(C)(C)OC(=O)CC1(CCO)CCCCC1
InChIInChI=1S/C14H26O3/c1-13(2,3)17-12(16)11-14(9-10-15)7-5-4-6-8-14/h15H,4-11H2,1-3H3
InChIKeyQNPLGOFJXWJXNO-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.05
Rot. Bonds4

About tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate

tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate (PubChem CID 18414290) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate
PubChem CID18414290
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nametert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate
SMILESCC(C)(C)OC(=O)CC1(CCO)CCCCC1
InChIInChI=1S/C14H26O3/c1-13(2,3)17-12(16)11-14(9-10-15)7-5-4-6-8-14/h15H,4-11H2,1-3H3
InChIKeyQNPLGOFJXWJXNO-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate?
The IUPAC name of tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate (CID 18414290) is tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate.
What is the SMILES notation for tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate?
The canonical SMILES for tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate is CC(C)(C)OC(=O)CC1(CCO)CCCCC1.
What is the InChIKey of tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate?
The InChIKey is QNPLGOFJXWJXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-13(2,3)17-12(16)11-14(9-10-15)7-5-4-6-8-14/h15H,4-11H2,1-3H3.
What are the key properties of tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate?
tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate has a molecular weight of 242.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(2-hydroxyethyl)cyclohexyl]acetate is sourced from PubChem (CID 18414290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).