methyl 3-cyclohexyl-2-methylpropanoate

C11H20O2 — CID 11446751

IUPACmethyl 3-cyclohexyl-2-methylpropanoate
SMILESCOC(=O)C(C)CC1CCCCC1
InChIInChI=1S/C11H20O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyYEWBQOJQYAIFNX-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.77
Rot. Bonds3

About methyl 3-cyclohexyl-2-methylpropanoate

methyl 3-cyclohexyl-2-methylpropanoate (PubChem CID 11446751) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl 3-cyclohexyl-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-2-methylpropanoate
PubChem CID11446751
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethyl 3-cyclohexyl-2-methylpropanoate
SMILESCOC(=O)C(C)CC1CCCCC1
InChIInChI=1S/C11H20O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyYEWBQOJQYAIFNX-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 methyl 3-cyclohexyl-2-methylpropanoate?
The IUPAC name of methyl 3-cyclohexyl-2-methylpropanoate (CID 11446751) is methyl 3-cyclohexyl-2-methylpropanoate.
What is the SMILES notation for methyl 3-cyclohexyl-2-methylpropanoate?
The canonical SMILES for methyl 3-cyclohexyl-2-methylpropanoate is COC(=O)C(C)CC1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyl-2-methylpropanoate?
The InChIKey is YEWBQOJQYAIFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of methyl 3-cyclohexyl-2-methylpropanoate?
methyl 3-cyclohexyl-2-methylpropanoate 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 methyl 3-cyclohexyl-2-methylpropanoate is sourced from PubChem (CID 11446751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).