formaldehyde;octoxymethylbenzene;tungsten

C20H34O6W — CID 173433681

IUPACformaldehyde;octoxymethylbenzene;tungsten
SMILESC=O.C=O.C=O.C=O.C=O.CCCCCCCCOCc1ccccc1.[W]
InChIInChI=1S/C15H24O.5CH2O.W/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15;5*1-2;/h7-9,11-12H,2-6,10,13-14H2,1H3;5*1H2;
InChIKeyXWGHDAKTYAAIRX-UHFFFAOYSA-N
MW554.33 g/mol
LogP3.64
Rot. Bonds9

About formaldehyde;octoxymethylbenzene;tungsten

formaldehyde;octoxymethylbenzene;tungsten (PubChem CID 173433681) has the molecular formula C20H34O6W and a molecular weight of 554.33 g/mol. Its IUPAC name is formaldehyde;octoxymethylbenzene;tungsten.

Molecular Properties

Compound Nameformaldehyde;octoxymethylbenzene;tungsten
PubChem CID173433681
Molecular FormulaC20H34O6W
Molecular Weight554.33 g/mol
Exact Mass554.19
IUPAC Nameformaldehyde;octoxymethylbenzene;tungsten
SMILESC=O.C=O.C=O.C=O.C=O.CCCCCCCCOCc1ccccc1.[W]
InChIInChI=1S/C15H24O.5CH2O.W/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15;5*1-2;/h7-9,11-12H,2-6,10,13-14H2,1H3;5*1H2;
InChIKeyXWGHDAKTYAAIRX-UHFFFAOYSA-N
XLogP3.64
TPSA94.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;hexoxymethylbenzene
CID 174805489
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
butoxymethylbenzene;ethane
CID 145341806
undec-4-enoxymethylbenzene
CID 158781580
icos-13-ynoxymethylbenzene
CID 134976299
lithium;butoxymethylbenzene;hydride
CID 175482454
acetic acid;butoxymethylbenzene
CID 139463153

Frequently Asked Questions

What is the IUPAC name of formaldehyde;octoxymethylbenzene;tungsten?
The IUPAC name of formaldehyde;octoxymethylbenzene;tungsten (CID 173433681) is formaldehyde;octoxymethylbenzene;tungsten.
What is the SMILES notation for formaldehyde;octoxymethylbenzene;tungsten?
The canonical SMILES for formaldehyde;octoxymethylbenzene;tungsten is C=O.C=O.C=O.C=O.C=O.CCCCCCCCOCc1ccccc1.[W].
What is the InChIKey of formaldehyde;octoxymethylbenzene;tungsten?
The InChIKey is XWGHDAKTYAAIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.5CH2O.W/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15;5*1-2;/h7-9,11-12H,2-6,10,13-14H2,1H3;5*1H2;.
What are the key properties of formaldehyde;octoxymethylbenzene;tungsten?
formaldehyde;octoxymethylbenzene;tungsten has a molecular weight of 554.33 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;octoxymethylbenzene;tungsten is sourced from PubChem (CID 173433681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).