ethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate

C11H20O3 — CID 20575444

IUPACethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C(C)O)CCCCC1
InChIInChI=1S/C11H20O3/c1-3-14-10(13)11(9(2)12)7-5-4-6-8-11/h9,12H,3-8H2,1-2H3
InChIKeyLEJXAWOJGMRLCT-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.88
Rot. Bonds3

About ethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate

ethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate (PubChem CID 20575444) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate
PubChem CID20575444
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C(C)O)CCCCC1
InChIInChI=1S/C11H20O3/c1-3-14-10(13)11(9(2)12)7-5-4-6-8-11/h9,12H,3-8H2,1-2H3
InChIKeyLEJXAWOJGMRLCT-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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate (CID 20575444) is ethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate is CCOC(=O)C1(C(C)O)CCCCC1.
What is the InChIKey of ethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate?
The InChIKey is LEJXAWOJGMRLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-14-10(13)11(9(2)12)7-5-4-6-8-11/h9,12H,3-8H2,1-2H3.
What are the key properties of ethyl 1-(1-hydroxyethyl)cyclohexane-1-carboxylate?
ethyl 1-(1-hydroxyethyl)cyclohexane-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-(1-hydroxyethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 20575444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).