ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate

C14H26O3 — CID 79299326

IUPACethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate
SMILESCCOC(=O)C(C)(O)C1CCC(C(C)C)CC1
InChIInChI=1S/C14H26O3/c1-5-17-13(15)14(4,16)12-8-6-11(7-9-12)10(2)3/h10-12,16H,5-9H2,1-4H3
InChIKeyNYCGBDPJCRKKKY-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.76
Rot. Bonds4

About ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate

ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate (PubChem CID 79299326) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate
PubChem CID79299326
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate
SMILESCCOC(=O)C(C)(O)C1CCC(C(C)C)CC1
InChIInChI=1S/C14H26O3/c1-5-17-13(15)14(4,16)12-8-6-11(7-9-12)10(2)3/h10-12,16H,5-9H2,1-4H3
InChIKeyNYCGBDPJCRKKKY-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2-[4-(trifluoromethyl)cyclohexyl]propanoate
CID 79308318
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
ethyl 2-hydroxy-2-(4-propan-2-ylcycloheptyl)butanoate
CID 79298132
ethyl 3-(4-tert-butylcyclohexyl)-2,2-difluoro-3-hydroxypropanoate
CID 104575915
1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol
CID 118424353
methyl 2-cyclopropyl-2-hydroxypropanoate
CID 62212878
ethyl 3-cyclopropylbutanoate
CID 47078610
ethyl 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanoate
CID 63908948
ethyl 2-cyclopropyl-2-(methylamino)propanoate
CID 60788390
ethyl 2,2-difluoro-2-(1-hydroxy-4-propan-2-ylcyclohexyl)acetate
CID 62703756
ethyl 2,2-dimethyl-3-oxo-4-(3-propan-2-ylpyrrolidin-1-yl)butanoate
CID 113418116
ethyl 2-methyl-2-(oxetan-3-yl)propanoate
CID 170912678

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate?
The IUPAC name of ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate (CID 79299326) is ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate is CCOC(=O)C(C)(O)C1CCC(C(C)C)CC1.
What is the InChIKey of ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate?
The InChIKey is NYCGBDPJCRKKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-5-17-13(15)14(4,16)12-8-6-11(7-9-12)10(2)3/h10-12,16H,5-9H2,1-4H3.
What are the key properties of ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate?
ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate has a molecular weight of 242.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate is sourced from PubChem (CID 79299326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).