1,9-bis(ethenoxy)nonane

C13H24O2 — CID 21044784

IUPAC1,9-bis(ethenoxy)nonane
SMILESC=COCCCCCCCCCOC=C
InChIInChI=1S/C13H24O2/c1-3-14-12-10-8-6-5-7-9-11-13-15-4-2/h3-4H,1-2,5-13H2
InChIKeyWGVVLKIKGKGXOT-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.04
Rot. Bonds12

About 1,9-bis(ethenoxy)nonane

1,9-bis(ethenoxy)nonane (PubChem CID 21044784) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1,9-bis(ethenoxy)nonane.

Molecular Properties

Compound Name1,9-bis(ethenoxy)nonane
PubChem CID21044784
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1,9-bis(ethenoxy)nonane
SMILESC=COCCCCCCCCCOC=C
InChIInChI=1S/C13H24O2/c1-3-14-12-10-8-6-5-7-9-11-13-15-4-2/h3-4H,1-2,5-13H2
InChIKeyWGVVLKIKGKGXOT-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.04
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

1,16-bis(ethenoxy)hexadecane
CID 19877850
1-ethenoxytriacontane
CID 14647805
1-bromo-6-ethenoxyhexane
CID 58795171
14-ethenoxytetradecan-1-ol
CID 139931182
1,4-bis(ethenoxy)butane;butane
CID 158192522
1-ethenoxy-3-methoxypropane
CID 22058891
1-ethenoxyhexane;hexan-1-amine
CID 88695112
1-ethenoxybutane;hydrate
CID 174447139
11-ethenoxy-2-fluoroundecan-1-ol
CID 139609456
6-ethenoxyhexoxybenzene
CID 57094182
bis(6-ethenoxyhexyl) pentanedioate
CID 90256894
5-ethenoxy-N,N-dipentylpentan-1-amine
CID 139652992

Frequently Asked Questions

What is the IUPAC name of 1,9-bis(ethenoxy)nonane?
The IUPAC name of 1,9-bis(ethenoxy)nonane (CID 21044784) is 1,9-bis(ethenoxy)nonane.
What is the SMILES notation for 1,9-bis(ethenoxy)nonane?
The canonical SMILES for 1,9-bis(ethenoxy)nonane is C=COCCCCCCCCCOC=C.
What is the InChIKey of 1,9-bis(ethenoxy)nonane?
The InChIKey is WGVVLKIKGKGXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-14-12-10-8-6-5-7-9-11-13-15-4-2/h3-4H,1-2,5-13H2.
What are the key properties of 1,9-bis(ethenoxy)nonane?
1,9-bis(ethenoxy)nonane has a molecular weight of 212.33 g/mol, XLogP of 4.04, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis(ethenoxy)nonane is sourced from PubChem (CID 21044784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).