ethyl 3-hydroxycyclohexane-1-carboxylate

C9H16O3 — CID 3023897

IUPACethyl 3-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(O)C1
InChIInChI=1S/C9H16O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h7-8,10H,2-6H2,1H3
InChIKeyBGAOLPQGOBDXBH-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds2

About ethyl 3-hydroxycyclohexane-1-carboxylate

ethyl 3-hydroxycyclohexane-1-carboxylate (PubChem CID 3023897) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is ethyl 3-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxycyclohexane-1-carboxylate
PubChem CID3023897
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nameethyl 3-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(O)C1
InChIInChI=1S/C9H16O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h7-8,10H,2-6H2,1H3
InChIKeyBGAOLPQGOBDXBH-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-hydroxycyclohexane-1-carboxylate (CID 3023897) is ethyl 3-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-hydroxycyclohexane-1-carboxylate is CCOC(=O)C1CCCC(O)C1.
What is the InChIKey of ethyl 3-hydroxycyclohexane-1-carboxylate?
The InChIKey is BGAOLPQGOBDXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h7-8,10H,2-6H2,1H3.
What are the key properties of ethyl 3-hydroxycyclohexane-1-carboxylate?
ethyl 3-hydroxycyclohexane-1-carboxylate has a molecular weight of 172.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 3023897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).