ethyl 2-(2-adamantyloxy)acetate

C14H22O3 — CID 23009659

IUPACethyl 2-(2-adamantyloxy)acetate
SMILESCCOC(=O)COC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22O3/c1-2-16-13(15)8-17-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-12,14H,2-8H2,1H3
InChIKeyKPHXTGMPTZXHDE-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.39
Rot. Bonds4

About ethyl 2-(2-adamantyloxy)acetate

ethyl 2-(2-adamantyloxy)acetate (PubChem CID 23009659) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl 2-(2-adamantyloxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-adamantyloxy)acetate
PubChem CID23009659
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethyl 2-(2-adamantyloxy)acetate
SMILESCCOC(=O)COC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22O3/c1-2-16-13(15)8-17-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-12,14H,2-8H2,1H3
InChIKeyKPHXTGMPTZXHDE-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-adamantyloxymethyl propanoate
CID 89187073
ethyl 2-(3-aminocyclopentyl)oxyacetate
CID 106940565
[2-(2-adamantyloxy)-2-oxoethyl] 2,2-dimethylbutanoate
CID 59289706
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705
ethyl 2-(2-adamantyl)prop-2-enoate
CID 66912559
[2-(2-adamantylamino)-2-oxoethyl] 2-ethoxyacetate
CID 2377056
2-adamantyloxymethyl 2-methylbutanoate;ethane
CID 91040572
ethyl 3-(2-adamantyl)-2-methylprop-2-enoate
CID 66689875
2-(2-adamantyloxymethoxy)ethyl 2,2-dimethylbutanoate
CID 59197515
3-[2-(2-adamantyloxy)acetyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
CID 164747268
ethyl 2-carbonochloridoyloxyacetate
CID 13397505
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-adamantyloxy)acetate?
The IUPAC name of ethyl 2-(2-adamantyloxy)acetate (CID 23009659) is ethyl 2-(2-adamantyloxy)acetate.
What is the SMILES notation for ethyl 2-(2-adamantyloxy)acetate?
The canonical SMILES for ethyl 2-(2-adamantyloxy)acetate is CCOC(=O)COC1C2CC3CC(C2)CC1C3.
What is the InChIKey of ethyl 2-(2-adamantyloxy)acetate?
The InChIKey is KPHXTGMPTZXHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-2-16-13(15)8-17-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-12,14H,2-8H2,1H3.
What are the key properties of ethyl 2-(2-adamantyloxy)acetate?
ethyl 2-(2-adamantyloxy)acetate has a molecular weight of 238.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-adamantyloxy)acetate is sourced from PubChem (CID 23009659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).