docosane-10,10-diol

C22H46O2 — CID 20528880

IUPACdocosane-10,10-diol
SMILESCCCCCCCCCCCCC(O)(O)CCCCCCCCC
InChIInChI=1S/C22H46O2/c1-3-5-7-9-11-12-13-15-17-19-21-22(23,24)20-18-16-14-10-8-6-4-2/h23-24H,3-21H2,1-2H3
InChIKeyWRKCDWGSWCHINI-UHFFFAOYSA-N
MW342.61 g/mol
LogP7.12
Rot. Bonds19

About docosane-10,10-diol

docosane-10,10-diol (PubChem CID 20528880) has the molecular formula C22H46O2 and a molecular weight of 342.61 g/mol. Its IUPAC name is docosane-10,10-diol.

Molecular Properties

Compound Namedocosane-10,10-diol
PubChem CID20528880
Molecular FormulaC22H46O2
Molecular Weight342.61 g/mol
Exact Mass342.35
IUPAC Namedocosane-10,10-diol
SMILESCCCCCCCCCCCCC(O)(O)CCCCCCCCC
InChIInChI=1S/C22H46O2/c1-3-5-7-9-11-12-13-15-17-19-21-22(23,24)20-18-16-14-10-8-6-4-2/h23-24H,3-21H2,1-2H3
InChIKeyWRKCDWGSWCHINI-UHFFFAOYSA-N
XLogP7.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

nonane-3,3-diol
CID 22472104
CID 162309133
CID 162309133
octane-3,3-diol
CID 157318438
1-aminooctadecane-2,2-diol
CID 87604063
7-hexylhexadecan-7-ol
CID 141253911
triacontane-1,1,1-triol
CID 87376487
tritriacontane-15,15,16,16-tetrol
CID 19863089
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
dodecane-1,1,1-triol
CID 22412604
2-methyldodecan-2-ol
CID 547702
hexadecane-1,1,1-triol;hydrobromide
CID 174918449

Frequently Asked Questions

What is the IUPAC name of docosane-10,10-diol?
The IUPAC name of docosane-10,10-diol (CID 20528880) is docosane-10,10-diol.
What is the SMILES notation for docosane-10,10-diol?
The canonical SMILES for docosane-10,10-diol is CCCCCCCCCCCCC(O)(O)CCCCCCCCC.
What is the InChIKey of docosane-10,10-diol?
The InChIKey is WRKCDWGSWCHINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2/c1-3-5-7-9-11-12-13-15-17-19-21-22(23,24)20-18-16-14-10-8-6-4-2/h23-24H,3-21H2,1-2H3.
What are the key properties of docosane-10,10-diol?
docosane-10,10-diol has a molecular weight of 342.61 g/mol, XLogP of 7.12, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for docosane-10,10-diol is sourced from PubChem (CID 20528880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).