cyclohexylmethyl 2,2-dimethylpropanoate

C12H22O2 — CID 59028828

IUPACcyclohexylmethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1CCCCC1
InChIInChI=1S/C12H22O2/c1-12(2,3)11(13)14-9-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKeyWRTAKTKBBWDCBO-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.16
Rot. Bonds2

About cyclohexylmethyl 2,2-dimethylpropanoate

cyclohexylmethyl 2,2-dimethylpropanoate (PubChem CID 59028828) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is cyclohexylmethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namecyclohexylmethyl 2,2-dimethylpropanoate
PubChem CID59028828
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namecyclohexylmethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1CCCCC1
InChIInChI=1S/C12H22O2/c1-12(2,3)11(13)14-9-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKeyWRTAKTKBBWDCBO-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2,2-dimethylpropanoate?
The IUPAC name of cyclohexylmethyl 2,2-dimethylpropanoate (CID 59028828) is cyclohexylmethyl 2,2-dimethylpropanoate.
What is the SMILES notation for cyclohexylmethyl 2,2-dimethylpropanoate?
The canonical SMILES for cyclohexylmethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2,2-dimethylpropanoate?
The InChIKey is WRTAKTKBBWDCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-12(2,3)11(13)14-9-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3.
What are the key properties of cyclohexylmethyl 2,2-dimethylpropanoate?
cyclohexylmethyl 2,2-dimethylpropanoate has a molecular weight of 198.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 59028828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).