ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate

C11H20O3 — CID 58597127

IUPACethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CC)CCC(O)CC1
InChIInChI=1S/C11H20O3/c1-3-11(10(13)14-4-2)7-5-9(12)6-8-11/h9,12H,3-8H2,1-2H3
InChIKeyBXRIUHPIUYGADC-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.88
Rot. Bonds3

About ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate

ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate (PubChem CID 58597127) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate
PubChem CID58597127
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CC)CCC(O)CC1
InChIInChI=1S/C11H20O3/c1-3-11(10(13)14-4-2)7-5-9(12)6-8-11/h9,12H,3-8H2,1-2H3
InChIKeyBXRIUHPIUYGADC-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-ethoxycarbonyl-4-ethylcyclohexyl)amino]carbamic acid
CID 118383258
ethyl 1,4-dimethylcyclohexane-1-carboxylate;ethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate
CID 159386259
ethyl 4-ethylpiperidin-1-ium-4-carboxylate
CID 86307047
ethyl 1-ethyl-4-methylcyclohexane-1-carboxylate;(1-ethyl-4-methylcyclohexyl)methanol;methane
CID 161492948
trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate
CID 99996868
ethyl 1-ethyl-4-(2-hydroxy-1,3,8-triazaspiro[4.5]decan-3-yl)cyclohexane-1-carboxylate
CID 134351001
cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid
CID 99996887
iodomethyl 1-ethylcyclopropane-1-carboxylate
CID 139604920
ethyl 1-ethyl-3,3-dimethoxycyclobutane-1-carboxylate
CID 170334363
ethyl 1-(bromomethyl)cyclobutane-1-carboxylate
CID 127263900
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate (CID 58597127) is ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate is CCOC(=O)C1(CC)CCC(O)CC1.
What is the InChIKey of ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate?
The InChIKey is BXRIUHPIUYGADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-11(10(13)14-4-2)7-5-9(12)6-8-11/h9,12H,3-8H2,1-2H3.
What are the key properties of ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate?
ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 58597127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).