cyclohexanol;iron

C6H12FeO — CID 146901686

IUPACcyclohexanol;iron
SMILESOC1CCCCC1.[Fe]
InChIInChI=1S/C6H12O.Fe/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;
InChIKeyGYEDEFJTRRLLJR-UHFFFAOYSA-N
MW156.01 g/mol
LogP1.31
Rot. Bonds

About cyclohexanol;iron

cyclohexanol;iron (PubChem CID 146901686) has the molecular formula C6H12FeO and a molecular weight of 156.01 g/mol. Its IUPAC name is cyclohexanol;iron.

Molecular Properties

Compound Namecyclohexanol;iron
PubChem CID146901686
Molecular FormulaC6H12FeO
Molecular Weight156.01 g/mol
Exact Mass156.02
IUPAC Namecyclohexanol;iron
SMILESOC1CCCCC1.[Fe]
InChIInChI=1S/C6H12O.Fe/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;
InChIKeyGYEDEFJTRRLLJR-UHFFFAOYSA-N
XLogP1.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.01
LogP ≤ 51.31
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

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CID 157040931
cyclohexanol;methanol
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pentakis(cyclopentanol);hafnium
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cyclopentanol;hafnium
CID 150405183
cyclopentanol;dihydrochloride
CID 86599054
CID 167679023
CID 167679023
bis(carbon dioxide);bis(cyclohexanol)
CID 159091312
cis-(1S,3R)-cyclooctane-1,3-diol
CID 59075450
cyclohexanol;prop-1-ene
CID 174901764

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;iron?
The IUPAC name of cyclohexanol;iron (CID 146901686) is cyclohexanol;iron.
What is the SMILES notation for cyclohexanol;iron?
The canonical SMILES for cyclohexanol;iron is OC1CCCCC1.[Fe].
What is the InChIKey of cyclohexanol;iron?
The InChIKey is GYEDEFJTRRLLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.Fe/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;.
What are the key properties of cyclohexanol;iron?
cyclohexanol;iron has a molecular weight of 156.01 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;iron is sourced from PubChem (CID 146901686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).