2-(1-adamantyl)ethoxymethyl acetate

C15H24O3 — CID 118688895

IUPAC2-(1-adamantyl)ethoxymethyl acetate
SMILESCC(=O)OCOCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24O3/c1-11(16)18-10-17-3-2-15-7-12-4-13(8-15)6-14(5-12)9-15/h12-14H,2-10H2,1H3
InChIKeyRATBWVWWYAUXBS-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.13
Rot. Bonds5

About 2-(1-adamantyl)ethoxymethyl acetate

2-(1-adamantyl)ethoxymethyl acetate (PubChem CID 118688895) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-(1-adamantyl)ethoxymethyl acetate.

Molecular Properties

Compound Name2-(1-adamantyl)ethoxymethyl acetate
PubChem CID118688895
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-(1-adamantyl)ethoxymethyl acetate
SMILESCC(=O)OCOCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24O3/c1-11(16)18-10-17-3-2-15-7-12-4-13(8-15)6-14(5-12)9-15/h12-14H,2-10H2,1H3
InChIKeyRATBWVWWYAUXBS-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;1-(2-ethoxyethyl)adamantane
CID 70179289
bis[2-(1-adamantyl)ethyl] butanedioate
CID 91715234
2-(3-acetyloxy-1-adamantyl)ethyl acetate
CID 165351607
2-(1-adamantyl)ethyl 2-chloroacetate
CID 585346
2-(1-adamantyl)ethyl N-ethylcarbamate
CID 5173684
4-O-[2-(1-adamantyl)ethyl] 1-O-ethyl butanedioate
CID 91715229
4-O-[2-(1-adamantyl)ethyl] 1-O-propyl (E)-but-2-enedioate
CID 91715223
2-(1-adamantyl)ethyl (2R)-2-amino-4-methylpentanoate
CID 10517844
2-[2-(1-adamantyl)ethoxy]-2-oxoethanesulfonic acid
CID 130402948
2-(1-adamantyl)ethoxymethanedithioic acid
CID 71681530
4-(1-adamantyloxy)butyl acetate
CID 134839652
2-(2-methoxyethoxy)ethoxymethyl acetate
CID 87088322

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)ethoxymethyl acetate?
The IUPAC name of 2-(1-adamantyl)ethoxymethyl acetate (CID 118688895) is 2-(1-adamantyl)ethoxymethyl acetate.
What is the SMILES notation for 2-(1-adamantyl)ethoxymethyl acetate?
The canonical SMILES for 2-(1-adamantyl)ethoxymethyl acetate is CC(=O)OCOCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)ethoxymethyl acetate?
The InChIKey is RATBWVWWYAUXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(16)18-10-17-3-2-15-7-12-4-13(8-15)6-14(5-12)9-15/h12-14H,2-10H2,1H3.
What are the key properties of 2-(1-adamantyl)ethoxymethyl acetate?
2-(1-adamantyl)ethoxymethyl acetate has a molecular weight of 252.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)ethoxymethyl acetate is sourced from PubChem (CID 118688895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).