methyl 2-(4-hydroxycyclohexyl)acetate

C9H16O3 — CID 12698499

IUPACmethyl 2-(4-hydroxycyclohexyl)acetate
SMILESCOC(=O)CC1CCC(O)CC1
InChIInChI=1S/C9H16O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h7-8,10H,2-6H2,1H3
InChIKeyFUDUBAPFCNGJJM-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds2

About methyl 2-(4-hydroxycyclohexyl)acetate

methyl 2-(4-hydroxycyclohexyl)acetate (PubChem CID 12698499) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 2-(4-hydroxycyclohexyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxycyclohexyl)acetate
PubChem CID12698499
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 2-(4-hydroxycyclohexyl)acetate
SMILESCOC(=O)CC1CCC(O)CC1
InChIInChI=1S/C9H16O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h7-8,10H,2-6H2,1H3
InChIKeyFUDUBAPFCNGJJM-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-(4-hydroxycyclohexyl)acetate?
The IUPAC name of methyl 2-(4-hydroxycyclohexyl)acetate (CID 12698499) is methyl 2-(4-hydroxycyclohexyl)acetate.
What is the SMILES notation for methyl 2-(4-hydroxycyclohexyl)acetate?
The canonical SMILES for methyl 2-(4-hydroxycyclohexyl)acetate is COC(=O)CC1CCC(O)CC1.
What is the InChIKey of methyl 2-(4-hydroxycyclohexyl)acetate?
The InChIKey is FUDUBAPFCNGJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h7-8,10H,2-6H2,1H3.
What are the key properties of methyl 2-(4-hydroxycyclohexyl)acetate?
methyl 2-(4-hydroxycyclohexyl)acetate 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-(4-hydroxycyclohexyl)acetate is sourced from PubChem (CID 12698499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).