2-ethoxy-1-(3-methyl-1-adamantyl)ethanone

C15H24O2 — CID 115782887

IUPAC2-ethoxy-1-(3-methyl-1-adamantyl)ethanone
SMILESCCOCC(=O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C15H24O2/c1-3-17-9-13(16)15-7-11-4-12(8-15)6-14(2,5-11)10-15/h11-12H,3-10H2,1-2H3
InChIKeyRSLAFDRMVRPQAH-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.20
Rot. Bonds4

About 2-ethoxy-1-(3-methyl-1-adamantyl)ethanone

2-ethoxy-1-(3-methyl-1-adamantyl)ethanone (PubChem CID 115782887) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-ethoxy-1-(3-methyl-1-adamantyl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(3-methyl-1-adamantyl)ethanone
PubChem CID115782887
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-ethoxy-1-(3-methyl-1-adamantyl)ethanone
SMILESCCOCC(=O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C15H24O2/c1-3-17-9-13(16)15-7-11-4-12(8-15)6-14(2,5-11)10-15/h11-12H,3-10H2,1-2H3
InChIKeyRSLAFDRMVRPQAH-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-methyladamantane-1-carboxylate
CID 91035381
1-(3-methyl-1-adamantyl)nonan-1-one
CID 114966838
2-cyclohexyl-1-(3-methyl-1-adamantyl)ethanone
CID 114967613
4-methoxy-4-methyl-1-(3-methyl-1-adamantyl)pentan-1-one
CID 103024714
1-(3-methyl-1-adamantyl)hex-5-en-1-one
CID 114974744
(3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone
CID 114975070
carbanylium;2-(3-methyladamantane-1-carbonyl)oxyethanesulfonate
CID 160838459
2-(1-ethylpyrazol-4-yl)-1-(3-methyl-1-adamantyl)ethanone
CID 114965340
N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide
CID 107155296
N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide
CID 113402760
3,5-dimethyladamantane-1-carboxylic acid;3-ethyladamantane-1-carboxylic acid
CID 159939925
2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid
CID 113402725

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-methyl-1-adamantyl)ethanone?
The IUPAC name of 2-ethoxy-1-(3-methyl-1-adamantyl)ethanone (CID 115782887) is 2-ethoxy-1-(3-methyl-1-adamantyl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(3-methyl-1-adamantyl)ethanone?
The canonical SMILES for 2-ethoxy-1-(3-methyl-1-adamantyl)ethanone is CCOCC(=O)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 2-ethoxy-1-(3-methyl-1-adamantyl)ethanone?
The InChIKey is RSLAFDRMVRPQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-17-9-13(16)15-7-11-4-12(8-15)6-14(2,5-11)10-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-ethoxy-1-(3-methyl-1-adamantyl)ethanone?
2-ethoxy-1-(3-methyl-1-adamantyl)ethanone has a molecular weight of 236.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-methyl-1-adamantyl)ethanone is sourced from PubChem (CID 115782887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).