2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol

C14H24O2 — CID 98064938

IUPAC2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol
SMILESCCC12C[C@@H]3C[C@@H](C1)CC(OCCO)(C3)C2
InChIInChI=1S/C14H24O2/c1-2-13-6-11-5-12(7-13)9-14(8-11,10-13)16-4-3-15/h11-12,15H,2-10H2,1H3/t11-,12-,13?,14?/m0/s1
InChIKeyUREAHLMKOYWUSL-FEPKRQSRSA-N
MW224.34 g/mol
LogP2.74
Rot. Bonds4

About 2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol

2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol (PubChem CID 98064938) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol
PubChem CID98064938
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol
SMILESCCC12C[C@@H]3C[C@@H](C1)CC(OCCO)(C3)C2
InChIInChI=1S/C14H24O2/c1-2-13-6-11-5-12(7-13)9-14(8-11,10-13)16-4-3-15/h11-12,15H,2-10H2,1H3/t11-,12-,13?,14?/m0/s1
InChIKeyUREAHLMKOYWUSL-FEPKRQSRSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-ethyl-1-adamantyl)oxy]ethanol
CID 53216180
2-[2-[2-[[3-(pyrazol-1-ylmethyl)-1-adamantyl]oxy]ethoxy]ethoxy]ethanol
CID 89498881
[3-(2-hydroxyethoxy)-1-adamantyl] 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123918559
3-ethyladamantane-1-carbonyl chloride
CID 15048836
1,3-bis(3-ethyl-1-adamantyl)adamantane
CID 58695293
3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane
CID 172791199
2-(3-ethyl-1-adamantyl)acetic acid
CID 3855143
1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane
CID 58225954
[3-(hydroxymethyl)-1-adamantyl] 2-methylbutanoate
CID 58887213
2-(3-ethyl-1-adamantyl)but-2-enoic acid
CID 91007804
2-(3-acetyloxy-1-adamantyl)ethyl acetate
CID 165351607
2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol
CID 138550493

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol?
The IUPAC name of 2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol (CID 98064938) is 2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol.
What is the SMILES notation for 2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol?
The canonical SMILES for 2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol is CCC12C[C@@H]3C[C@@H](C1)CC(OCCO)(C3)C2.
What is the InChIKey of 2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol?
The InChIKey is UREAHLMKOYWUSL-FEPKRQSRSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-13-6-11-5-12(7-13)9-14(8-11,10-13)16-4-3-15/h11-12,15H,2-10H2,1H3/t11-,12-,13?,14?/m0/s1.
What are the key properties of 2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol?
2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol has a molecular weight of 224.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol is sourced from PubChem (CID 98064938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).