(3-methoxy-1-adamantyl)methyl acetate

C14H22O3 — CID 118908215

IUPAC(3-methoxy-1-adamantyl)methyl acetate
SMILESCOC12CC3CC(CC(COC(C)=O)(C3)C1)C2
InChIInChI=1S/C14H22O3/c1-10(15)17-9-13-4-11-3-12(5-13)7-14(6-11,8-13)16-2/h11-12H,3-9H2,1-2H3
InChIKeyICYLCYXFKJIPKY-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.53
Rot. Bonds3

About (3-methoxy-1-adamantyl)methyl acetate

(3-methoxy-1-adamantyl)methyl acetate (PubChem CID 118908215) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (3-methoxy-1-adamantyl)methyl acetate.

Molecular Properties

Compound Name(3-methoxy-1-adamantyl)methyl acetate
PubChem CID118908215
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(3-methoxy-1-adamantyl)methyl acetate
SMILESCOC12CC3CC(CC(COC(C)=O)(C3)C1)C2
InChIInChI=1S/C14H22O3/c1-10(15)17-9-13-4-11-3-12(5-13)7-14(6-11,8-13)16-2/h11-12H,3-9H2,1-2H3
InChIKeyICYLCYXFKJIPKY-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

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Related Compounds

[3-(methoxymethyl)-1-adamantyl] acetate
CID 177115329
2-(3-acetyloxy-1-adamantyl)ethyl acetate
CID 165351607
1,1-difluoro-2-[[3-(methoxymethoxy)-1-adamantyl]methoxy]-2-oxoethanesulfinic acid
CID 167141191
(5S,7R)-3-methoxyadamantane-1-carboxylic acid
CID 94844048
[3-(1-methoxy-2-methylpropoxy)-1-adamantyl]methyl 2-methylprop-2-enoate
CID 58445798
1-[[2,2-difluoro-2-(trioxidanylsulfanyl)ethoxy]methyl]-3-methoxyadamantane
CID 59440609
2-[[3-(2,2-difluoro-2-sulfoacetyl)oxy-1-adamantyl]methoxy]-1,1-difluoro-2-oxoethanesulfonic acid
CID 89295579
[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] 2,2,4,4,4-pentafluorobutanoate
CID 89088258
N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide
CID 10514046
[(7S)-3-(iodomethyl)-1-adamantyl] methyl carbonate
CID 146177999
1-[(2,2-difluoro-2-oxidoperoxysulfanylethoxy)methyl]-3-methoxyadamantane
CID 59440608
3-[(3-methoxy-1-adamantyl)methoxymethyl]benzaldehyde
CID 122475955

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-adamantyl)methyl acetate?
The IUPAC name of (3-methoxy-1-adamantyl)methyl acetate (CID 118908215) is (3-methoxy-1-adamantyl)methyl acetate.
What is the SMILES notation for (3-methoxy-1-adamantyl)methyl acetate?
The canonical SMILES for (3-methoxy-1-adamantyl)methyl acetate is COC12CC3CC(CC(COC(C)=O)(C3)C1)C2.
What is the InChIKey of (3-methoxy-1-adamantyl)methyl acetate?
The InChIKey is ICYLCYXFKJIPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10(15)17-9-13-4-11-3-12(5-13)7-14(6-11,8-13)16-2/h11-12H,3-9H2,1-2H3.
What are the key properties of (3-methoxy-1-adamantyl)methyl acetate?
(3-methoxy-1-adamantyl)methyl 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-methoxy-1-adamantyl)methyl acetate is sourced from PubChem (CID 118908215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).