ethyl 2-tert-butylcyclohexane-1-carboxylate

C13H24O2 — CID 67415687

IUPACethyl 2-tert-butylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1C(C)(C)C
InChIInChI=1S/C13H24O2/c1-5-15-12(14)10-8-6-7-9-11(10)13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyBUFZJIUAKOYMRH-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.40
Rot. Bonds2

About ethyl 2-tert-butylcyclohexane-1-carboxylate

ethyl 2-tert-butylcyclohexane-1-carboxylate (PubChem CID 67415687) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is ethyl 2-tert-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butylcyclohexane-1-carboxylate
PubChem CID67415687
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nameethyl 2-tert-butylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1C(C)(C)C
InChIInChI=1S/C13H24O2/c1-5-15-12(14)10-8-6-7-9-11(10)13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyBUFZJIUAKOYMRH-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
ethyl (2S)-2-propan-2-ylcyclohexane-1-carboxylate
CID 58682733
cis-(1R,2S)-2-ethoxycarbonylcyclohexane-1-carboxylate
CID 71423369
ethyl 2-iodocyclohexane-1-carboxylate
CID 153229288
[(1S,2S)-2-ethoxycarbonylcyclohexyl]azanium
CID 6946484
cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate
CID 57224472
ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate
CID 69116253
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
tris(ethane-1,2-diol);2-ethoxycarbonylcyclohexane-1-carboxylic acid
CID 67954498
ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
CID 89296898

Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 2-tert-butylcyclohexane-1-carboxylate (CID 67415687) is ethyl 2-tert-butylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2-tert-butylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2-tert-butylcyclohexane-1-carboxylate is CCOC(=O)C1CCCCC1C(C)(C)C.
What is the InChIKey of ethyl 2-tert-butylcyclohexane-1-carboxylate?
The InChIKey is BUFZJIUAKOYMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-15-12(14)10-8-6-7-9-11(10)13(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 2-tert-butylcyclohexane-1-carboxylate?
ethyl 2-tert-butylcyclohexane-1-carboxylate has a molecular weight of 212.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 67415687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).