ethyl 2-(4-methylcyclohexyl)acetate

C11H20O2 — CID 10821367

IUPACethyl 2-(4-methylcyclohexyl)acetate
SMILESCCOC(=O)CC1CCC(C)CC1
InChIInChI=1S/C11H20O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyIOJBKMOCKWBVJQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.77
Rot. Bonds3

About ethyl 2-(4-methylcyclohexyl)acetate

ethyl 2-(4-methylcyclohexyl)acetate (PubChem CID 10821367) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is ethyl 2-(4-methylcyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methylcyclohexyl)acetate
PubChem CID10821367
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameethyl 2-(4-methylcyclohexyl)acetate
SMILESCCOC(=O)CC1CCC(C)CC1
InChIInChI=1S/C11H20O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyIOJBKMOCKWBVJQ-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylcyclohexyl)acetate?
The IUPAC name of ethyl 2-(4-methylcyclohexyl)acetate (CID 10821367) is ethyl 2-(4-methylcyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(4-methylcyclohexyl)acetate?
The canonical SMILES for ethyl 2-(4-methylcyclohexyl)acetate is CCOC(=O)CC1CCC(C)CC1.
What is the InChIKey of ethyl 2-(4-methylcyclohexyl)acetate?
The InChIKey is IOJBKMOCKWBVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(4-methylcyclohexyl)acetate?
ethyl 2-(4-methylcyclohexyl)acetate has a molecular weight of 184.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylcyclohexyl)acetate is sourced from PubChem (CID 10821367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).