2-ethylhexan-1-ol;iron

C8H18FeO — CID 22477032

IUPAC2-ethylhexan-1-ol;iron
SMILESCCCCC(CC)CO.[Fe]
InChIInChI=1S/C8H18O.Fe/c1-3-5-6-8(4-2)7-9;/h8-9H,3-7H2,1-2H3;
InChIKeyJSHBEPVJCZXPBN-UHFFFAOYSA-N
MW186.08 g/mol
LogP2.19
Rot. Bonds5

About 2-ethylhexan-1-ol;iron

2-ethylhexan-1-ol;iron (PubChem CID 22477032) has the molecular formula C8H18FeO and a molecular weight of 186.08 g/mol. Its IUPAC name is 2-ethylhexan-1-ol;iron.

Molecular Properties

Compound Name2-ethylhexan-1-ol;iron
PubChem CID22477032
Molecular FormulaC8H18FeO
Molecular Weight186.08 g/mol
Exact Mass186.07
IUPAC Name2-ethylhexan-1-ol;iron
SMILESCCCCC(CC)CO.[Fe]
InChIInChI=1S/C8H18O.Fe/c1-3-5-6-8(4-2)7-9;/h8-9H,3-7H2,1-2H3;
InChIKeyJSHBEPVJCZXPBN-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-ethylhexan-1-ol;hydron
CID 175010288
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CID 173397810
CID 159249113
CID 159249113
2-ethylhexan-1-ol;trichlorotitanium
CID 22251739
2-ethylhexan-1-ol;2-hexyloctan-1-ol
CID 146216303
2-ethyldodecan-1-ol
CID 545553
ethane-1,2-diol;2-ethylhexan-1-ol;prop-1-ene
CID 139528593
sodium;2-ethylhexan-1-ol;sulfate
CID 20976016
butanedioic acid;2-ethylhexan-1-ol
CID 159770263
bis(butan-1-ol);ethanol;2-ethylhexan-1-ol;methanol;propan-1-ol;trihydrate
CID 158610217
hexakis(dimethylazanide);2-ethylhexan-1-ol;hexan-1-ol;bis(titanium(3+))
CID 173312153

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexan-1-ol;iron?
The IUPAC name of 2-ethylhexan-1-ol;iron (CID 22477032) is 2-ethylhexan-1-ol;iron.
What is the SMILES notation for 2-ethylhexan-1-ol;iron?
The canonical SMILES for 2-ethylhexan-1-ol;iron is CCCCC(CC)CO.[Fe].
What is the InChIKey of 2-ethylhexan-1-ol;iron?
The InChIKey is JSHBEPVJCZXPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.Fe/c1-3-5-6-8(4-2)7-9;/h8-9H,3-7H2,1-2H3;.
What are the key properties of 2-ethylhexan-1-ol;iron?
2-ethylhexan-1-ol;iron has a molecular weight of 186.08 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexan-1-ol;iron is sourced from PubChem (CID 22477032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).