(2-cyclohexylacetyl)oxymethyl 2-methylpropanoate

C13H22O4 — CID 121486100

IUPAC(2-cyclohexylacetyl)oxymethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCOC(=O)CC1CCCCC1
InChIInChI=1S/C13H22O4/c1-10(2)13(15)17-9-16-12(14)8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyOXZVRHXJNMMDJX-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.66
Rot. Bonds5

About (2-cyclohexylacetyl)oxymethyl 2-methylpropanoate

(2-cyclohexylacetyl)oxymethyl 2-methylpropanoate (PubChem CID 121486100) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (2-cyclohexylacetyl)oxymethyl 2-methylpropanoate.

Molecular Properties

Compound Name(2-cyclohexylacetyl)oxymethyl 2-methylpropanoate
PubChem CID121486100
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(2-cyclohexylacetyl)oxymethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCOC(=O)CC1CCCCC1
InChIInChI=1S/C13H22O4/c1-10(2)13(15)17-9-16-12(14)8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyOXZVRHXJNMMDJX-UHFFFAOYSA-N
XLogP2.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cyclopentylmethyl 2-methylpropanoate
CID 21063892
[4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate
CID 153456033
[4-(2-cyclopentylacetyl)oxyphenyl]methyl 2-methylpropanoate
CID 171426102
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
cyanomethyl 2-cyclohexylacetate
CID 101408563
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
trifluoromethylsulfonyloxymethyl 2-cyclohexylacetate
CID 151994272
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214
2-[2-[2-(2-cyclohexylacetyl)oxyethoxy]cyclohexyl]oxyethyl 2-cyclohexylacetate
CID 153456013
prop-1-en-2-yl 2-cyclohexylacetate
CID 57350090
(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one
CID 58418389
cyclopentyl 2-cyclohexylacetate;hydrochloride
CID 174567498

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylacetyl)oxymethyl 2-methylpropanoate?
The IUPAC name of (2-cyclohexylacetyl)oxymethyl 2-methylpropanoate (CID 121486100) is (2-cyclohexylacetyl)oxymethyl 2-methylpropanoate.
What is the SMILES notation for (2-cyclohexylacetyl)oxymethyl 2-methylpropanoate?
The canonical SMILES for (2-cyclohexylacetyl)oxymethyl 2-methylpropanoate is CC(C)C(=O)OCOC(=O)CC1CCCCC1.
What is the InChIKey of (2-cyclohexylacetyl)oxymethyl 2-methylpropanoate?
The InChIKey is OXZVRHXJNMMDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-10(2)13(15)17-9-16-12(14)8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of (2-cyclohexylacetyl)oxymethyl 2-methylpropanoate?
(2-cyclohexylacetyl)oxymethyl 2-methylpropanoate has a molecular weight of 242.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylacetyl)oxymethyl 2-methylpropanoate is sourced from PubChem (CID 121486100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).