iron;octan-1-ol

C8H18FeO — CID 163603716

IUPACiron;octan-1-ol
SMILESCCCCCCCCO.[Fe]
InChIInChI=1S/C8H18O.Fe/c1-2-3-4-5-6-7-8-9;/h9H,2-8H2,1H3;
InChIKeyGZYPNGHIXHLEPT-UHFFFAOYSA-N
MW186.08 g/mol
LogP2.34
Rot. Bonds6

About iron;octan-1-ol

iron;octan-1-ol (PubChem CID 163603716) has the molecular formula C8H18FeO and a molecular weight of 186.08 g/mol. Its IUPAC name is iron;octan-1-ol.

Molecular Properties

Compound Nameiron;octan-1-ol
PubChem CID163603716
Molecular FormulaC8H18FeO
Molecular Weight186.08 g/mol
Exact Mass186.07
IUPAC Nameiron;octan-1-ol
SMILESCCCCCCCCO.[Fe]
InChIInChI=1S/C8H18O.Fe/c1-2-3-4-5-6-7-8-9;/h9H,2-8H2,1H3;
InChIKeyGZYPNGHIXHLEPT-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 iron;octan-1-ol?
The IUPAC name of iron;octan-1-ol (CID 163603716) is iron;octan-1-ol.
What is the SMILES notation for iron;octan-1-ol?
The canonical SMILES for iron;octan-1-ol is CCCCCCCCO.[Fe].
What is the InChIKey of iron;octan-1-ol?
The InChIKey is GZYPNGHIXHLEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.Fe/c1-2-3-4-5-6-7-8-9;/h9H,2-8H2,1H3;.
What are the key properties of iron;octan-1-ol?
iron;octan-1-ol has a molecular weight of 186.08 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iron;octan-1-ol is sourced from PubChem (CID 163603716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).