adamantane-1-carboxylic acid;cobalt

C11H16CoO2 — CID 174948331

IUPACadamantane-1-carboxylic acid;cobalt
SMILESO=C(O)C12CC3CC(CC(C3)C1)C2.[Co]
InChIInChI=1S/C11H16O2.Co/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H,12,13);
InChIKeyAOLPMQAYFRSEHG-UHFFFAOYSA-N
MW239.18 g/mol
LogP2.28
Rot. Bonds1

About adamantane-1-carboxylic acid;cobalt

adamantane-1-carboxylic acid;cobalt (PubChem CID 174948331) has the molecular formula C11H16CoO2 and a molecular weight of 239.18 g/mol. Its IUPAC name is adamantane-1-carboxylic acid;cobalt.

Molecular Properties

Compound Nameadamantane-1-carboxylic acid;cobalt
PubChem CID174948331
Molecular FormulaC11H16CoO2
Molecular Weight239.18 g/mol
Exact Mass239.05
IUPAC Nameadamantane-1-carboxylic acid;cobalt
SMILESO=C(O)C12CC3CC(CC(C3)C1)C2.[Co]
InChIInChI=1S/C11H16O2.Co/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H,12,13);
InChIKeyAOLPMQAYFRSEHG-UHFFFAOYSA-N
XLogP2.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 13022294
4-isocyanoadamantane-1-carboxylic acid
CID 87472611
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Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboxylic acid;cobalt?
The IUPAC name of adamantane-1-carboxylic acid;cobalt (CID 174948331) is adamantane-1-carboxylic acid;cobalt.
What is the SMILES notation for adamantane-1-carboxylic acid;cobalt?
The canonical SMILES for adamantane-1-carboxylic acid;cobalt is O=C(O)C12CC3CC(CC(C3)C1)C2.[Co].
What is the InChIKey of adamantane-1-carboxylic acid;cobalt?
The InChIKey is AOLPMQAYFRSEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.Co/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H,12,13);.
What are the key properties of adamantane-1-carboxylic acid;cobalt?
adamantane-1-carboxylic acid;cobalt has a molecular weight of 239.18 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1-carboxylic acid;cobalt is sourced from PubChem (CID 174948331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).