ethenoxyethene;hexane;hydrate

C10H22O2 — CID 175235648

IUPACethenoxyethene;hexane;hydrate
SMILESC=COC=C.CCCCCC.O
InChIInChI=1S/C6H14.C4H6O.H2O/c1-3-5-6-4-2;1-3-5-4-2;/h3-6H2,1-2H3;3-4H,1-2H2;1H2
InChIKeyJSEZWSYLROXUOX-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.05
Rot. Bonds5

About ethenoxyethene;hexane;hydrate

ethenoxyethene;hexane;hydrate (PubChem CID 175235648) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is ethenoxyethene;hexane;hydrate.

Molecular Properties

Compound Nameethenoxyethene;hexane;hydrate
PubChem CID175235648
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Nameethenoxyethene;hexane;hydrate
SMILESC=COC=C.CCCCCC.O
InChIInChI=1S/C6H14.C4H6O.H2O/c1-3-5-6-4-2;1-3-5-4-2;/h3-6H2,1-2H3;3-4H,1-2H2;1H2
InChIKeyJSEZWSYLROXUOX-UHFFFAOYSA-N
XLogP3.05
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

ethenoxyethene;hexane;methanol
CID 174389238
1-ethenoxybutane;hydrate
CID 174447139
hexane;tetrahydrate
CID 174107213
1-ethenoxyoctadeca-1,3-diene
CID 141161901
hexane;propane;prop-1-ene
CID 143913803
ethenol;hexane
CID 22706833
1-ethenoxytriacontane
CID 14647805
ethenol;heptadecane
CID 158851930
ethane;prop-1-ene;undecane
CID 171541850
heptane;hydrate
CID 57468513
decane;ruthenium
CID 160818595
1-ethenylperoxyoctane
CID 71433457

Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;hexane;hydrate?
The IUPAC name of ethenoxyethene;hexane;hydrate (CID 175235648) is ethenoxyethene;hexane;hydrate.
What is the SMILES notation for ethenoxyethene;hexane;hydrate?
The canonical SMILES for ethenoxyethene;hexane;hydrate is C=COC=C.CCCCCC.O.
What is the InChIKey of ethenoxyethene;hexane;hydrate?
The InChIKey is JSEZWSYLROXUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H6O.H2O/c1-3-5-6-4-2;1-3-5-4-2;/h3-6H2,1-2H3;3-4H,1-2H2;1H2.
What are the key properties of ethenoxyethene;hexane;hydrate?
ethenoxyethene;hexane;hydrate has a molecular weight of 174.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;hexane;hydrate is sourced from PubChem (CID 175235648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).