methoxymethyl 3-acetyloxyadamantane-1-carboxylate

C15H22O5 — CID 118344723

IUPACmethoxymethyl 3-acetyloxyadamantane-1-carboxylate
SMILESCOCOC(=O)C12CC3CC(CC(OC(C)=O)(C3)C1)C2
InChIInChI=1S/C15H22O5/c1-10(16)20-15-6-11-3-12(7-15)5-14(4-11,8-15)13(17)19-9-18-2/h11-12H,3-9H2,1-2H3
InChIKeyIGEHCYVYVUWDAR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.04
Rot. Bonds4

About methoxymethyl 3-acetyloxyadamantane-1-carboxylate

methoxymethyl 3-acetyloxyadamantane-1-carboxylate (PubChem CID 118344723) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is methoxymethyl 3-acetyloxyadamantane-1-carboxylate.

Molecular Properties

Compound Namemethoxymethyl 3-acetyloxyadamantane-1-carboxylate
PubChem CID118344723
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Namemethoxymethyl 3-acetyloxyadamantane-1-carboxylate
SMILESCOCOC(=O)C12CC3CC(CC(OC(C)=O)(C3)C1)C2
InChIInChI=1S/C15H22O5/c1-10(16)20-15-6-11-3-12(7-15)5-14(4-11,8-15)13(17)19-9-18-2/h11-12H,3-9H2,1-2H3
InChIKeyIGEHCYVYVUWDAR-UHFFFAOYSA-N
XLogP2.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R,7R)-3-acetyloxyadamantane-1-carboxylate
CID 23308485
[3-(methoxymethyl)-1-adamantyl] acetate
CID 177115329
1-ethoxyethyl 3-acetyloxyadamantane-1-carboxylate
CID 22895666
5-(methoxymethoxycarbonyl)adamantane-1,3-dicarboxylic acid
CID 23135733
2-(3-acetyloxy-1-adamantyl)ethyl acetate
CID 165351607
2-methylsulfanylethyl 3-(2,2-dimethylpropanoyloxy)adamantane-1-carboxylate
CID 170100615
3-(3-acetyloxyadamantane-1-carbonyl)oxy-2,2-difluoro-4-methylpentanoate
CID 164747312
[(5S,7S)-3-(1,2,4-triazol-4-ylcarbamoyl)-1-adamantyl] acetate
CID 98221129
2,2-difluoropropyl 3-[2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethoxy]adamantane-1-carboxylate
CID 58264790
2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonic acid
CID 88912289
2-[3-(adamantane-1-carbonyloxy)adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate
CID 156681635
sodium;1-adamantyl acetate;hydride
CID 174617949

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 3-acetyloxyadamantane-1-carboxylate?
The IUPAC name of methoxymethyl 3-acetyloxyadamantane-1-carboxylate (CID 118344723) is methoxymethyl 3-acetyloxyadamantane-1-carboxylate.
What is the SMILES notation for methoxymethyl 3-acetyloxyadamantane-1-carboxylate?
The canonical SMILES for methoxymethyl 3-acetyloxyadamantane-1-carboxylate is COCOC(=O)C12CC3CC(CC(OC(C)=O)(C3)C1)C2.
What is the InChIKey of methoxymethyl 3-acetyloxyadamantane-1-carboxylate?
The InChIKey is IGEHCYVYVUWDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-10(16)20-15-6-11-3-12(7-15)5-14(4-11,8-15)13(17)19-9-18-2/h11-12H,3-9H2,1-2H3.
What are the key properties of methoxymethyl 3-acetyloxyadamantane-1-carboxylate?
methoxymethyl 3-acetyloxyadamantane-1-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 3-acetyloxyadamantane-1-carboxylate is sourced from PubChem (CID 118344723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).