azane;hexoxymethylbenzene

C13H23NO — CID 174805489

IUPACazane;hexoxymethylbenzene
SMILESCCCCCCOCc1ccccc1.N
InChIInChI=1S/C13H20O.H3N/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13;/h5-7,9-10H,2-4,8,11-12H2,1H3;1H3
InChIKeyRJXLSUIQSZBUGM-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.95
Rot. Bonds7

About azane;hexoxymethylbenzene

azane;hexoxymethylbenzene (PubChem CID 174805489) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is azane;hexoxymethylbenzene.

Molecular Properties

Compound Nameazane;hexoxymethylbenzene
PubChem CID174805489
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameazane;hexoxymethylbenzene
SMILESCCCCCCOCc1ccccc1.N
InChIInChI=1S/C13H20O.H3N/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13;/h5-7,9-10H,2-4,8,11-12H2,1H3;1H3
InChIKeyRJXLSUIQSZBUGM-UHFFFAOYSA-N
XLogP3.95
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
butoxymethylbenzene;ethane
CID 145341806
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
icos-13-ynoxymethylbenzene
CID 134976299
lithium;butoxymethylbenzene;hydride
CID 175482454
hexadec-11-ynoxymethylbenzene
CID 134976298
undec-4-enoxymethylbenzene
CID 158781580

Frequently Asked Questions

What is the IUPAC name of azane;hexoxymethylbenzene?
The IUPAC name of azane;hexoxymethylbenzene (CID 174805489) is azane;hexoxymethylbenzene.
What is the SMILES notation for azane;hexoxymethylbenzene?
The canonical SMILES for azane;hexoxymethylbenzene is CCCCCCOCc1ccccc1.N.
What is the InChIKey of azane;hexoxymethylbenzene?
The InChIKey is RJXLSUIQSZBUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.H3N/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13;/h5-7,9-10H,2-4,8,11-12H2,1H3;1H3.
What are the key properties of azane;hexoxymethylbenzene?
azane;hexoxymethylbenzene has a molecular weight of 209.33 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexoxymethylbenzene is sourced from PubChem (CID 174805489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).