[3-(methoxymethyl)-1-adamantyl] acetate

C14H22O3 — CID 177115329

IUPAC[3-(methoxymethyl)-1-adamantyl] acetate
SMILESCOCC12CC3CC(C1)CC(OC(C)=O)(C3)C2
InChIInChI=1S/C14H22O3/c1-10(15)17-14-6-11-3-12(7-14)5-13(4-11,8-14)9-16-2/h11-12H,3-9H2,1-2H3
InChIKeyIJPJNQVDFIGBND-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.53
Rot. Bonds3

About [3-(methoxymethyl)-1-adamantyl] acetate

[3-(methoxymethyl)-1-adamantyl] acetate (PubChem CID 177115329) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-(methoxymethyl)-1-adamantyl] acetate.

Molecular Properties

Compound Name[3-(methoxymethyl)-1-adamantyl] acetate
PubChem CID177115329
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name[3-(methoxymethyl)-1-adamantyl] acetate
SMILESCOCC12CC3CC(C1)CC(OC(C)=O)(C3)C2
InChIInChI=1S/C14H22O3/c1-10(15)17-14-6-11-3-12(7-14)5-13(4-11,8-14)9-16-2/h11-12H,3-9H2,1-2H3
InChIKeyIJPJNQVDFIGBND-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(methoxymethyl)-1-adamantyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-acetyloxy-1-adamantyl)ethyl acetate
CID 165351607
(3-methoxy-1-adamantyl)methyl acetate
CID 118908215
N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide
CID 10514046
methoxymethyl 3-acetyloxyadamantane-1-carboxylate
CID 118344723
(5R,7R)-3-acetyloxyadamantane-1-carboxylate
CID 23308485
[(7S)-3-(iodomethyl)-1-adamantyl] methyl carbonate
CID 146177999
sodium;1-adamantyl acetate;hydride
CID 174617949
[(5S,7R)-3-cyano-1-adamantyl] acetate
CID 721763
(3,5-diacetyloxy-1-adamantyl) acetate
CID 14789836
[3-(2-methylbutan-2-yloxymethyl)-1-adamantyl] 2,2-dimethylbutanoate
CID 70370799
[(5S,7S)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-adamantyl] acetate
CID 98052185
[3-(hydroxymethyl)-1-adamantyl] 2-methylbutanoate
CID 58887213

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1-adamantyl] acetate?
The IUPAC name of [3-(methoxymethyl)-1-adamantyl] acetate (CID 177115329) is [3-(methoxymethyl)-1-adamantyl] acetate.
What is the SMILES notation for [3-(methoxymethyl)-1-adamantyl] acetate?
The canonical SMILES for [3-(methoxymethyl)-1-adamantyl] acetate is COCC12CC3CC(C1)CC(OC(C)=O)(C3)C2.
What is the InChIKey of [3-(methoxymethyl)-1-adamantyl] acetate?
The InChIKey is IJPJNQVDFIGBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10(15)17-14-6-11-3-12(7-14)5-13(4-11,8-14)9-16-2/h11-12H,3-9H2,1-2H3.
What are the key properties of [3-(methoxymethyl)-1-adamantyl] acetate?
[3-(methoxymethyl)-1-adamantyl] acetate has a molecular weight of 238.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1-adamantyl] acetate is sourced from PubChem (CID 177115329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).