1-ethenoxyoctadecylidene(oxido)oxidanium

C20H38O3 — CID 171482114

IUPAC1-ethenoxyoctadecylidene(oxido)oxidanium
SMILESC=CO/C(CCCCCCCCCCCCCCCCC)=[O+]/[O-]
InChIInChI=1S/C20H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23-21)22-4-2/h4H,2-3,5-19H2,1H3
InChIKeyNALNVNTURFDJJE-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.75
Rot. Bonds17

About 1-ethenoxyoctadecylidene(oxido)oxidanium

1-ethenoxyoctadecylidene(oxido)oxidanium (PubChem CID 171482114) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 1-ethenoxyoctadecylidene(oxido)oxidanium.

Molecular Properties

Compound Name1-ethenoxyoctadecylidene(oxido)oxidanium
PubChem CID171482114
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name1-ethenoxyoctadecylidene(oxido)oxidanium
SMILESC=CO/C(CCCCCCCCCCCCCCCCC)=[O+]/[O-]
InChIInChI=1S/C20H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23-21)22-4-2/h4H,2-3,5-19H2,1H3
InChIKeyNALNVNTURFDJJE-UHFFFAOYSA-N
XLogP5.75
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.75
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'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]octylidene-oxidooxidanium
CID 141005222
ethenyl 2-oxohexadecanoate
CID 57088883
O-ethenyl hentriacontanethioate
CID 139759166
ethenyl heptatriacontanoate
CID 139682782
O-ethenyl hexacosanethioate
CID 139759162
ethenyl octacosanoate
CID 54439588
ethenyl henpentacontanoate
CID 139683011
O-ethenyl heptadecanethioate
CID 139759138
ethenyl tetracontanoate
CID 139682936
ethenyl butanoate;ethenyl octadecanoate
CID 161122383
acetic acid;ethenyl octadecanoate
CID 87067593
ethenyl acetate;octadecane
CID 161470611

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxyoctadecylidene(oxido)oxidanium?
The IUPAC name of 1-ethenoxyoctadecylidene(oxido)oxidanium (CID 171482114) is 1-ethenoxyoctadecylidene(oxido)oxidanium.
What is the SMILES notation for 1-ethenoxyoctadecylidene(oxido)oxidanium?
The canonical SMILES for 1-ethenoxyoctadecylidene(oxido)oxidanium is C=CO/C(CCCCCCCCCCCCCCCCC)=[O+]/[O-].
What is the InChIKey of 1-ethenoxyoctadecylidene(oxido)oxidanium?
The InChIKey is NALNVNTURFDJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23-21)22-4-2/h4H,2-3,5-19H2,1H3.
What are the key properties of 1-ethenoxyoctadecylidene(oxido)oxidanium?
1-ethenoxyoctadecylidene(oxido)oxidanium has a molecular weight of 326.52 g/mol, XLogP of 5.75, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyoctadecylidene(oxido)oxidanium is sourced from PubChem (CID 171482114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).