6-ethenoxyhexoxybenzene

C14H20O2 — CID 57094182

IUPAC6-ethenoxyhexoxybenzene
SMILESC=COCCCCCCOc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-15-12-8-3-4-9-13-16-14-10-6-5-7-11-14/h2,5-7,10-11H,1,3-4,8-9,12-13H2
InChIKeyHGBGVCPHDJWFEY-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.79
Rot. Bonds9

About 6-ethenoxyhexoxybenzene

6-ethenoxyhexoxybenzene (PubChem CID 57094182) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-ethenoxyhexoxybenzene.

Molecular Properties

Compound Name6-ethenoxyhexoxybenzene
PubChem CID57094182
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name6-ethenoxyhexoxybenzene
SMILESC=COCCCCCCOc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-15-12-8-3-4-9-13-16-14-10-6-5-7-11-14/h2,5-7,10-11H,1,3-4,8-9,12-13H2
InChIKeyHGBGVCPHDJWFEY-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-bis(5-ethenoxypentoxy)pyridine
CID 90074129
6-ethenyloct-7-enoxybenzene
CID 66961410
1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium
CID 59319783
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
penta-1,4-diene;pentoxybenzene
CID 174999180
2,5-bis(6-ethenoxyhexoxy)pyridine
CID 90074551
[4-(2-ethenoxyethoxy)phenyl]-phenyldiazene
CID 86210096
pentoxybenzene;undecane
CID 174778179
7-phenoxyheptan-1-ol
CID 15856264
dodecoxybenzene;ethene;hydrate
CID 174804981

Frequently Asked Questions

What is the IUPAC name of 6-ethenoxyhexoxybenzene?
The IUPAC name of 6-ethenoxyhexoxybenzene (CID 57094182) is 6-ethenoxyhexoxybenzene.
What is the SMILES notation for 6-ethenoxyhexoxybenzene?
The canonical SMILES for 6-ethenoxyhexoxybenzene is C=COCCCCCCOc1ccccc1.
What is the InChIKey of 6-ethenoxyhexoxybenzene?
The InChIKey is HGBGVCPHDJWFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-15-12-8-3-4-9-13-16-14-10-6-5-7-11-14/h2,5-7,10-11H,1,3-4,8-9,12-13H2.
What are the key properties of 6-ethenoxyhexoxybenzene?
6-ethenoxyhexoxybenzene has a molecular weight of 220.31 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenoxyhexoxybenzene is sourced from PubChem (CID 57094182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).