ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate

C12H22O3 — CID 165348974

IUPACethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1CCCCC1O
InChIInChI=1S/C12H22O3/c1-4-15-11(14)12(2,3)9-7-5-6-8-10(9)13/h9-10,13H,4-8H2,1-3H3
InChIKeyGBMJNZDLPGKYGG-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.13
Rot. Bonds3

About ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate

ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate (PubChem CID 165348974) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate
PubChem CID165348974
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1CCCCC1O
InChIInChI=1S/C12H22O3/c1-4-15-11(14)12(2,3)9-7-5-6-8-10(9)13/h9-10,13H,4-8H2,1-3H3
InChIKeyGBMJNZDLPGKYGG-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxycarbonyl-2-(2-hydroxycyclopentyl)pentanoic acid
CID 103974207
ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate
CID 79298576
ethyl 2-(3-hydroxycyclobutyl)-2-methylpropanoate
CID 135382674
ethyl 2-cyclohexyl-2-ethoxypropanoate
CID 141274224
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
ethyl 2-methyl-2-(oxetan-3-yl)propanoate
CID 170912678
ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate
CID 79298252
ethyl 2-tert-butylcyclohexane-1-carboxylate
CID 67415687
2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973903
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate
CID 106874759

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate (CID 165348974) is ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate is CCOC(=O)C(C)(C)C1CCCCC1O.
What is the InChIKey of ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate?
The InChIKey is GBMJNZDLPGKYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-15-11(14)12(2,3)9-7-5-6-8-10(9)13/h9-10,13H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate?
ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate has a molecular weight of 214.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate is sourced from PubChem (CID 165348974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).