formaldehyde;1-isocyanohexane;tungsten

C12H23NO5W — CID 173274635

IUPACformaldehyde;1-isocyanohexane;tungsten
SMILESC=O.C=O.C=O.C=O.C=O.[C-]#[N+]CCCCCC.[W]
InChIInChI=1S/C7H13N.5CH2O.W/c1-3-4-5-6-7-8-2;5*1-2;/h3-7H2,1H3;5*1H2;
InChIKeyHAZXEFVPKHMWMV-UHFFFAOYSA-N
MW445.16 g/mol
LogP1.56
Rot. Bonds4

About formaldehyde;1-isocyanohexane;tungsten

formaldehyde;1-isocyanohexane;tungsten (PubChem CID 173274635) has the molecular formula C12H23NO5W and a molecular weight of 445.16 g/mol. Its IUPAC name is formaldehyde;1-isocyanohexane;tungsten.

Molecular Properties

Compound Nameformaldehyde;1-isocyanohexane;tungsten
PubChem CID173274635
Molecular FormulaC12H23NO5W
Molecular Weight445.16 g/mol
Exact Mass445.11
IUPAC Nameformaldehyde;1-isocyanohexane;tungsten
SMILESC=O.C=O.C=O.C=O.C=O.[C-]#[N+]CCCCCC.[W]
InChIInChI=1S/C7H13N.5CH2O.W/c1-3-4-5-6-7-8-2;5*1-2;/h3-7H2,1H3;5*1H2;
InChIKeyHAZXEFVPKHMWMV-UHFFFAOYSA-N
XLogP1.56
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-isocyanooctadec-9-ene
CID 86193330
18-isocyanooctadeca-6,9-diene
CID 76830243
1-isocyanooctane;8-isocyanooctanenitrile
CID 161128912
CID 71434342
CID 71434342
ethene;undecane
CID 161157037
triacontane
CID 12535
dictane
CID 19848341
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-isocyanohexane;tungsten?
The IUPAC name of formaldehyde;1-isocyanohexane;tungsten (CID 173274635) is formaldehyde;1-isocyanohexane;tungsten.
What is the SMILES notation for formaldehyde;1-isocyanohexane;tungsten?
The canonical SMILES for formaldehyde;1-isocyanohexane;tungsten is C=O.C=O.C=O.C=O.C=O.[C-]#[N+]CCCCCC.[W].
What is the InChIKey of formaldehyde;1-isocyanohexane;tungsten?
The InChIKey is HAZXEFVPKHMWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.5CH2O.W/c1-3-4-5-6-7-8-2;5*1-2;/h3-7H2,1H3;5*1H2;.
What are the key properties of formaldehyde;1-isocyanohexane;tungsten?
formaldehyde;1-isocyanohexane;tungsten has a molecular weight of 445.16 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-isocyanohexane;tungsten is sourced from PubChem (CID 173274635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).