cobalt;bis(2-decoxyphenol);dihydrate

C32H56CoO6 — CID 70521593

IUPACcobalt;bis(2-decoxyphenol);dihydrate
SMILESCCCCCCCCCCOc1ccccc1O.CCCCCCCCCCOc1ccccc1O.O.O.[Co]
InChIInChI=1S/2C16H26O2.Co.2H2O/c2*1-2-3-4-5-6-7-8-11-14-18-16-13-10-9-12-15(16)17;;;/h2*9-10,12-13,17H,2-8,11,14H2,1H3;;2*1H2
InChIKeyATFLBZWQWBDSGF-UHFFFAOYSA-N
MW595.73 g/mol
LogP8.17
Rot. Bonds20

About cobalt;bis(2-decoxyphenol);dihydrate

cobalt;bis(2-decoxyphenol);dihydrate (PubChem CID 70521593) has the molecular formula C32H56CoO6 and a molecular weight of 595.73 g/mol. Its IUPAC name is cobalt;bis(2-decoxyphenol);dihydrate.

Molecular Properties

Compound Namecobalt;bis(2-decoxyphenol);dihydrate
PubChem CID70521593
Molecular FormulaC32H56CoO6
Molecular Weight595.73 g/mol
Exact Mass595.34
IUPAC Namecobalt;bis(2-decoxyphenol);dihydrate
SMILESCCCCCCCCCCOc1ccccc1O.CCCCCCCCCCOc1ccccc1O.O.O.[Co]
InChIInChI=1S/2C16H26O2.Co.2H2O/c2*1-2-3-4-5-6-7-8-11-14-18-16-13-10-9-12-15(16)17;;;/h2*9-10,12-13,17H,2-8,11,14H2,1H3;;2*1H2
InChIKeyATFLBZWQWBDSGF-UHFFFAOYSA-N
XLogP8.17
TPSA121.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.73
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tridecoxyphenol
CID 67178320
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
3-tetradecoxybenzene-1,2-diol
CID 152769078
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
2-ethyl-3-hexoxyphenol
CID 118561746
2,3-dipentoxyphenol
CID 57426098
2-octoxyaniline
CID 14747235
1-methyl-2-pentadecoxybenzene
CID 154641785
2-(5-bromopentoxy)phenol
CID 13197601
4-nonoxybenzene-1,3-diol
CID 66563301
5-pentoxynaphthalen-1-ol
CID 67823980

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(2-decoxyphenol);dihydrate?
The IUPAC name of cobalt;bis(2-decoxyphenol);dihydrate (CID 70521593) is cobalt;bis(2-decoxyphenol);dihydrate.
What is the SMILES notation for cobalt;bis(2-decoxyphenol);dihydrate?
The canonical SMILES for cobalt;bis(2-decoxyphenol);dihydrate is CCCCCCCCCCOc1ccccc1O.CCCCCCCCCCOc1ccccc1O.O.O.[Co].
What is the InChIKey of cobalt;bis(2-decoxyphenol);dihydrate?
The InChIKey is ATFLBZWQWBDSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H26O2.Co.2H2O/c2*1-2-3-4-5-6-7-8-11-14-18-16-13-10-9-12-15(16)17;;;/h2*9-10,12-13,17H,2-8,11,14H2,1H3;;2*1H2.
What are the key properties of cobalt;bis(2-decoxyphenol);dihydrate?
cobalt;bis(2-decoxyphenol);dihydrate has a molecular weight of 595.73 g/mol, XLogP of 8.17, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(2-decoxyphenol);dihydrate is sourced from PubChem (CID 70521593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).