dichlorocobalt;oxolane-2-carboxylic acid

C5H8Cl2CoO3 — CID 70626660

IUPACdichlorocobalt;oxolane-2-carboxylic acid
SMILESCl[Co]Cl.O=C(O)C1CCCO1
InChIInChI=1S/C5H8O3.2ClH.Co/c6-5(7)4-2-1-3-8-4;;;/h4H,1-3H2,(H,6,7);2*1H;/q;;;+2/p-2
InChIKeyUBKIBKPSIOJMMC-UHFFFAOYSA-L
MW245.95 g/mol
LogP1.63
Rot. Bonds1

About dichlorocobalt;oxolane-2-carboxylic acid

dichlorocobalt;oxolane-2-carboxylic acid (PubChem CID 70626660) has the molecular formula C5H8Cl2CoO3 and a molecular weight of 245.95 g/mol. Its IUPAC name is dichlorocobalt;oxolane-2-carboxylic acid.

Molecular Properties

Compound Namedichlorocobalt;oxolane-2-carboxylic acid
PubChem CID70626660
Molecular FormulaC5H8Cl2CoO3
Molecular Weight245.95 g/mol
Exact Mass244.92
IUPAC Namedichlorocobalt;oxolane-2-carboxylic acid
SMILESCl[Co]Cl.O=C(O)C1CCCO1
InChIInChI=1S/C5H8O3.2ClH.Co/c6-5(7)4-2-1-3-8-4;;;/h4H,1-3H2,(H,6,7);2*1H;/q;;;+2/p-2
InChIKeyUBKIBKPSIOJMMC-UHFFFAOYSA-L
XLogP1.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.95
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

oxolane-2-carboxylic acid;silver
CID 160678639
(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid
CID 87727117
hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
CID 173287990
bis(oxolane-2-carboxylate);oxolane-2-carboxylic acid;titanium(3+);chloride
CID 157205388
hexane;methanol;oxolane-2-carboxylic acid
CID 70354682
2-methylpropane-1,3-diol;oxolane-2-carboxylic acid
CID 159609797
cyclopropyl(oxolan-2-yl)methanone
CID 65331065
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
azanium (2R)-oxolane-2-carboxylate
CID 141340270
2,3,3-tris(oxolan-2-yl)prop-2-enoic acid
CID 66885031
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654

Frequently Asked Questions

What is the IUPAC name of dichlorocobalt;oxolane-2-carboxylic acid?
The IUPAC name of dichlorocobalt;oxolane-2-carboxylic acid (CID 70626660) is dichlorocobalt;oxolane-2-carboxylic acid.
What is the SMILES notation for dichlorocobalt;oxolane-2-carboxylic acid?
The canonical SMILES for dichlorocobalt;oxolane-2-carboxylic acid is Cl[Co]Cl.O=C(O)C1CCCO1.
What is the InChIKey of dichlorocobalt;oxolane-2-carboxylic acid?
The InChIKey is UBKIBKPSIOJMMC-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H8O3.2ClH.Co/c6-5(7)4-2-1-3-8-4;;;/h4H,1-3H2,(H,6,7);2*1H;/q;;;+2/p-2.
What are the key properties of dichlorocobalt;oxolane-2-carboxylic acid?
dichlorocobalt;oxolane-2-carboxylic acid has a molecular weight of 245.95 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocobalt;oxolane-2-carboxylic acid is sourced from PubChem (CID 70626660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).