methyl 2-cyclohexyl-2-hydroxyacetate

C9H16O3 — CID 11959078

IUPACmethyl 2-cyclohexyl-2-hydroxyacetate
SMILESCOC(=O)C(O)C1CCCCC1
InChIInChI=1S/C9H16O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h7-8,10H,2-6H2,1H3
InChIKeyLJJCBCPCMQLBCG-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds2

About methyl 2-cyclohexyl-2-hydroxyacetate

methyl 2-cyclohexyl-2-hydroxyacetate (PubChem CID 11959078) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-hydroxyacetate
PubChem CID11959078
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 2-cyclohexyl-2-hydroxyacetate
SMILESCOC(=O)C(O)C1CCCCC1
InChIInChI=1S/C9H16O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h7-8,10H,2-6H2,1H3
InChIKeyLJJCBCPCMQLBCG-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 methyl 2-cyclohexyl-2-hydroxyacetate?
The IUPAC name of methyl 2-cyclohexyl-2-hydroxyacetate (CID 11959078) is methyl 2-cyclohexyl-2-hydroxyacetate.
What is the SMILES notation for methyl 2-cyclohexyl-2-hydroxyacetate?
The canonical SMILES for methyl 2-cyclohexyl-2-hydroxyacetate is COC(=O)C(O)C1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyl-2-hydroxyacetate?
The InChIKey is LJJCBCPCMQLBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h7-8,10H,2-6H2,1H3.
What are the key properties of methyl 2-cyclohexyl-2-hydroxyacetate?
methyl 2-cyclohexyl-2-hydroxyacetate 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 methyl 2-cyclohexyl-2-hydroxyacetate is sourced from PubChem (CID 11959078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).