ethenoxyethene;hexane;methanol

C12H28O3 — CID 174389238

IUPACethenoxyethene;hexane;methanol
SMILESC=COC=C.CCCCCC.CO.CO
InChIInChI=1S/C6H14.C4H6O.2CH4O/c1-3-5-6-4-2;1-3-5-4-2;2*1-2/h3-6H2,1-2H3;3-4H,1-2H2;2*2H,1H3
InChIKeyWVSMQRGBWZJAOS-UHFFFAOYSA-N
MW220.35 g/mol
LogP3.09
Rot. Bonds5

About ethenoxyethene;hexane;methanol

ethenoxyethene;hexane;methanol (PubChem CID 174389238) has the molecular formula C12H28O3 and a molecular weight of 220.35 g/mol. Its IUPAC name is ethenoxyethene;hexane;methanol.

Molecular Properties

Compound Nameethenoxyethene;hexane;methanol
PubChem CID174389238
Molecular FormulaC12H28O3
Molecular Weight220.35 g/mol
Exact Mass220.20
IUPAC Nameethenoxyethene;hexane;methanol
SMILESC=COC=C.CCCCCC.CO.CO
InChIInChI=1S/C6H14.C4H6O.2CH4O/c1-3-5-6-4-2;1-3-5-4-2;2*1-2/h3-6H2,1-2H3;3-4H,1-2H2;2*2H,1H3
InChIKeyWVSMQRGBWZJAOS-UHFFFAOYSA-N
XLogP3.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;hydrate
CID 175235648
ethenol;hexane
CID 22706833
ethenol;heptadecane
CID 158851930
formyl formate;hexane;methanol
CID 159655348
methanol;undecane
CID 161373911
1-ethenoxyoctadeca-1,3-diene
CID 141161901
hexane;propane;prop-1-ene
CID 143913803
ethenyl acetate;heptane
CID 19104449
ethenyl acetate;octadecane
CID 161470611
1-ethenoxytriacontane
CID 14647805
hexadecane;methanol;hydrate
CID 87350275
tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol
CID 175381751

Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;hexane;methanol?
The IUPAC name of ethenoxyethene;hexane;methanol (CID 174389238) is ethenoxyethene;hexane;methanol.
What is the SMILES notation for ethenoxyethene;hexane;methanol?
The canonical SMILES for ethenoxyethene;hexane;methanol is C=COC=C.CCCCCC.CO.CO.
What is the InChIKey of ethenoxyethene;hexane;methanol?
The InChIKey is WVSMQRGBWZJAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H6O.2CH4O/c1-3-5-6-4-2;1-3-5-4-2;2*1-2/h3-6H2,1-2H3;3-4H,1-2H2;2*2H,1H3.
What are the key properties of ethenoxyethene;hexane;methanol?
ethenoxyethene;hexane;methanol has a molecular weight of 220.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;hexane;methanol is sourced from PubChem (CID 174389238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).