ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate

C10H18O3 — CID 22614095

IUPACethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CC(O)CCC1C
InChIInChI=1S/C10H18O3/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h7-9,11H,3-6H2,1-2H3
InChIKeyGUPQXDHWDBBGNX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.35
Rot. Bonds2

About ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate

ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate (PubChem CID 22614095) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate
PubChem CID22614095
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CC(O)CCC1C
InChIInChI=1S/C10H18O3/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h7-9,11H,3-6H2,1-2H3
InChIKeyGUPQXDHWDBBGNX-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate (CID 22614095) is ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate is CCOC(=O)C1CC(O)CCC1C.
What is the InChIKey of ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate?
The InChIKey is GUPQXDHWDBBGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h7-9,11H,3-6H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate?
ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 22614095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).