methyl 2-(4-methylcyclohexyl)acetate

C10H18O2 — CID 12808866

IUPACmethyl 2-(4-methylcyclohexyl)acetate
SMILESCOC(=O)CC1CCC(C)CC1
InChIInChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)7-10(11)12-2/h8-9H,3-7H2,1-2H3
InChIKeyFCNYEVACUORKIT-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds2

About methyl 2-(4-methylcyclohexyl)acetate

methyl 2-(4-methylcyclohexyl)acetate (PubChem CID 12808866) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is methyl 2-(4-methylcyclohexyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methylcyclohexyl)acetate
PubChem CID12808866
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namemethyl 2-(4-methylcyclohexyl)acetate
SMILESCOC(=O)CC1CCC(C)CC1
InChIInChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)7-10(11)12-2/h8-9H,3-7H2,1-2H3
InChIKeyFCNYEVACUORKIT-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylcyclohexyl)acetate?
The IUPAC name of methyl 2-(4-methylcyclohexyl)acetate (CID 12808866) is methyl 2-(4-methylcyclohexyl)acetate.
What is the SMILES notation for methyl 2-(4-methylcyclohexyl)acetate?
The canonical SMILES for methyl 2-(4-methylcyclohexyl)acetate is COC(=O)CC1CCC(C)CC1.
What is the InChIKey of methyl 2-(4-methylcyclohexyl)acetate?
The InChIKey is FCNYEVACUORKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)7-10(11)12-2/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 2-(4-methylcyclohexyl)acetate?
methyl 2-(4-methylcyclohexyl)acetate has a molecular weight of 170.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylcyclohexyl)acetate is sourced from PubChem (CID 12808866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).