octakis(octan-1-ol);zinc

C64H144O8Zn — CID 175851316

IUPACoctakis(octan-1-ol);zinc
SMILESCCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.[Zn]
InChIInChI=1S/8C8H18O.Zn/c8*1-2-3-4-5-6-7-8-9;/h8*9H,2-8H2,1H3;
InChIKeyDFTLDAUHCMTUAE-UHFFFAOYSA-N
MW1107.24 g/mol
LogP18.71
Rot. Bonds48

About octakis(octan-1-ol);zinc

octakis(octan-1-ol);zinc (PubChem CID 175851316) has the molecular formula C64H144O8Zn and a molecular weight of 1107.24 g/mol. Its IUPAC name is octakis(octan-1-ol);zinc.

Molecular Properties

Compound Nameoctakis(octan-1-ol);zinc
PubChem CID175851316
Molecular FormulaC64H144O8Zn
Molecular Weight1107.24 g/mol
Exact Mass1105.02
IUPAC Nameoctakis(octan-1-ol);zinc
SMILESCCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.[Zn]
InChIInChI=1S/8C8H18O.Zn/c8*1-2-3-4-5-6-7-8-9;/h8*9H,2-8H2,1H3;
InChIKeyDFTLDAUHCMTUAE-UHFFFAOYSA-N
XLogP18.71
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds48
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001107.24
LogP ≤ 518.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
octan-1-ol;pentane-1,5-diol
CID 174867151

Frequently Asked Questions

What is the IUPAC name of octakis(octan-1-ol);zinc?
The IUPAC name of octakis(octan-1-ol);zinc (CID 175851316) is octakis(octan-1-ol);zinc.
What is the SMILES notation for octakis(octan-1-ol);zinc?
The canonical SMILES for octakis(octan-1-ol);zinc is CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.CCCCCCCCO.[Zn].
What is the InChIKey of octakis(octan-1-ol);zinc?
The InChIKey is DFTLDAUHCMTUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/8C8H18O.Zn/c8*1-2-3-4-5-6-7-8-9;/h8*9H,2-8H2,1H3;.
What are the key properties of octakis(octan-1-ol);zinc?
octakis(octan-1-ol);zinc has a molecular weight of 1107.24 g/mol, XLogP of 18.71, 48 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(octan-1-ol);zinc is sourced from PubChem (CID 175851316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).