tetrakis(octadecan-1-ol);zirconium

C72H152O4Zr — CID 23448394

IUPACtetrakis(octadecan-1-ol);zirconium
SMILESCCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO.[Zr]
InChIInChI=1S/4C18H38O.Zr/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h4*19H,2-18H2,1H3;
InChIKeyZOWWZLPKSDVAIW-UHFFFAOYSA-N
MW1173.23 g/mol
LogP24.96
Rot. Bonds64

About tetrakis(octadecan-1-ol);zirconium

tetrakis(octadecan-1-ol);zirconium (PubChem CID 23448394) has the molecular formula C72H152O4Zr and a molecular weight of 1173.23 g/mol. Its IUPAC name is tetrakis(octadecan-1-ol);zirconium.

Molecular Properties

Compound Nametetrakis(octadecan-1-ol);zirconium
PubChem CID23448394
Molecular FormulaC72H152O4Zr
Molecular Weight1173.23 g/mol
Exact Mass1171.07
IUPAC Nametetrakis(octadecan-1-ol);zirconium
SMILESCCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO.[Zr]
InChIInChI=1S/4C18H38O.Zr/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h4*19H,2-18H2,1H3;
InChIKeyZOWWZLPKSDVAIW-UHFFFAOYSA-N
XLogP24.96
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds64
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.23
LogP ≤ 524.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(hexan-1-ol);zirconium;dihydrate
CID 175523338
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830

Frequently Asked Questions

What is the IUPAC name of tetrakis(octadecan-1-ol);zirconium?
The IUPAC name of tetrakis(octadecan-1-ol);zirconium (CID 23448394) is tetrakis(octadecan-1-ol);zirconium.
What is the SMILES notation for tetrakis(octadecan-1-ol);zirconium?
The canonical SMILES for tetrakis(octadecan-1-ol);zirconium is CCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO.[Zr].
What is the InChIKey of tetrakis(octadecan-1-ol);zirconium?
The InChIKey is ZOWWZLPKSDVAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H38O.Zr/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h4*19H,2-18H2,1H3;.
What are the key properties of tetrakis(octadecan-1-ol);zirconium?
tetrakis(octadecan-1-ol);zirconium has a molecular weight of 1173.23 g/mol, XLogP of 24.96, 64 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(octadecan-1-ol);zirconium is sourced from PubChem (CID 23448394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).