2-ethyladamantane-2-carboxylic acid

C13H20O2 — CID 18547676

IUPAC2-ethyladamantane-2-carboxylic acid
SMILESCCC1(C(=O)O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H20O2/c1-2-13(12(14)15)10-4-8-3-9(6-10)7-11(13)5-8/h8-11H,2-7H2,1H3,(H,14,15)
InChIKeyZSLZDQZCQDSBIW-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.92
Rot. Bonds2

About 2-ethyladamantane-2-carboxylic acid

2-ethyladamantane-2-carboxylic acid (PubChem CID 18547676) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-ethyladamantane-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyladamantane-2-carboxylic acid
PubChem CID18547676
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-ethyladamantane-2-carboxylic acid
SMILESCCC1(C(=O)O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H20O2/c1-2-13(12(14)15)10-4-8-3-9(6-10)7-11(13)5-8/h8-11H,2-7H2,1H3,(H,14,15)
InChIKeyZSLZDQZCQDSBIW-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-adamantyl 2-ethyladamantane-2-carboxylate
CID 166021559
2-ethyl-2-methyladamantane
CID 21349236
2-acetamidoadamantane-2-carboxylic acid
CID 15322577
chloro (2-methyl-2-adamantyl) carbonate
CID 166021529
1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid
CID 142601138
2-(2-amino-2-adamantyl)acetic acid
CID 71709485
magnesium;2-ethyladamantan-2-olate;chloride
CID 141311408
(2-methyl-2-adamantyl) 2-chloroacetate
CID 10332006
2-ethyladamantan-2-ol;2-propan-2-yladamantan-2-ol;prop-2-enoic acid
CID 174905992
1-O-(1-ethylcyclopropyl) 4-O-(2-methyl-2-adamantyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372446
(2-ethyl-2-adamantyl) 2-fluoro-2-methylbutanoate
CID 58823640
(2-ethyl-2-adamantyl) 2-(2-chloroacetyl)oxyacetate
CID 58105934

Frequently Asked Questions

What is the IUPAC name of 2-ethyladamantane-2-carboxylic acid?
The IUPAC name of 2-ethyladamantane-2-carboxylic acid (CID 18547676) is 2-ethyladamantane-2-carboxylic acid.
What is the SMILES notation for 2-ethyladamantane-2-carboxylic acid?
The canonical SMILES for 2-ethyladamantane-2-carboxylic acid is CCC1(C(=O)O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-ethyladamantane-2-carboxylic acid?
The InChIKey is ZSLZDQZCQDSBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-13(12(14)15)10-4-8-3-9(6-10)7-11(13)5-8/h8-11H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-ethyladamantane-2-carboxylic acid?
2-ethyladamantane-2-carboxylic acid has a molecular weight of 208.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyladamantane-2-carboxylic acid is sourced from PubChem (CID 18547676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).