ethyl 2-(4,4-dimethyloxan-2-yl)acetate

C11H20O3 — CID 10375536

IUPACethyl 2-(4,4-dimethyloxan-2-yl)acetate
SMILESCCOC(=O)CC1CC(C)(C)CCO1
InChIInChI=1S/C11H20O3/c1-4-13-10(12)7-9-8-11(2,3)5-6-14-9/h9H,4-8H2,1-3H3
InChIKeyOMAFVMCXTNIXDH-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds3

About ethyl 2-(4,4-dimethyloxan-2-yl)acetate

ethyl 2-(4,4-dimethyloxan-2-yl)acetate (PubChem CID 10375536) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-(4,4-dimethyloxan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,4-dimethyloxan-2-yl)acetate
PubChem CID10375536
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 2-(4,4-dimethyloxan-2-yl)acetate
SMILESCCOC(=O)CC1CC(C)(C)CCO1
InChIInChI=1S/C11H20O3/c1-4-13-10(12)7-9-8-11(2,3)5-6-14-9/h9H,4-8H2,1-3H3
InChIKeyOMAFVMCXTNIXDH-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5,5-dimethyloxepan-2-yl)acetate
CID 134975696
ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate
CID 134907720
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
CID 78876031
ethyl 2-(4-amino-2-propyloxan-4-yl)acetate
CID 79848209
ethyl 2-(2,2,6,6-tetramethyloxan-4-yl)acetate
CID 54474466
3-(4,4-dimethyloxan-2-yl)propan-1-ol
CID 24972538
ethyl 2-(2-methyloxolan-3-yl)acetate
CID 118541290
ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate
CID 123369581
ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
CID 69067707
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate
CID 130668492

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,4-dimethyloxan-2-yl)acetate?
The IUPAC name of ethyl 2-(4,4-dimethyloxan-2-yl)acetate (CID 10375536) is ethyl 2-(4,4-dimethyloxan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4,4-dimethyloxan-2-yl)acetate?
The canonical SMILES for ethyl 2-(4,4-dimethyloxan-2-yl)acetate is CCOC(=O)CC1CC(C)(C)CCO1.
What is the InChIKey of ethyl 2-(4,4-dimethyloxan-2-yl)acetate?
The InChIKey is OMAFVMCXTNIXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-13-10(12)7-9-8-11(2,3)5-6-14-9/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(4,4-dimethyloxan-2-yl)acetate?
ethyl 2-(4,4-dimethyloxan-2-yl)acetate has a molecular weight of 200.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,4-dimethyloxan-2-yl)acetate is sourced from PubChem (CID 10375536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).