1-ethenoxyoctadecane;furan-2,5-dione

C24H42O4 — CID 86676835

IUPAC1-ethenoxyoctadecane;furan-2,5-dione
SMILESC=COCCCCCCCCCCCCCCCCCC.O=C1C=CC(=O)O1
InChIInChI=1S/C20H40O.C4H2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2;5-3-1-2-4(6)7-3/h4H,2-3,5-20H2,1H3;1-2H
InChIKeyGKAWVMYDVURFPD-UHFFFAOYSA-N
MW394.60 g/mol
LogP7.03
Rot. Bonds18

About 1-ethenoxyoctadecane;furan-2,5-dione

1-ethenoxyoctadecane;furan-2,5-dione (PubChem CID 86676835) has the molecular formula C24H42O4 and a molecular weight of 394.60 g/mol. Its IUPAC name is 1-ethenoxyoctadecane;furan-2,5-dione.

Molecular Properties

Compound Name1-ethenoxyoctadecane;furan-2,5-dione
PubChem CID86676835
Molecular FormulaC24H42O4
Molecular Weight394.60 g/mol
Exact Mass394.31
IUPAC Name1-ethenoxyoctadecane;furan-2,5-dione
SMILESC=COCCCCCCCCCCCCCCCCCC.O=C1C=CC(=O)O1
InChIInChI=1S/C20H40O.C4H2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2;5-3-1-2-4(6)7-3/h4H,2-3,5-20H2,1H3;1-2H
InChIKeyGKAWVMYDVURFPD-UHFFFAOYSA-N
XLogP7.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethenoxytriacontane
CID 14647805
furan-2,5-dione;hexadec-1-ene
CID 87102971
furan-2,5-dione;oct-1-ene
CID 86738184
1-ethenoxybutane;hydrate
CID 174447139
1,4-bis(ethenoxy)butane;butane
CID 158192522
furan-2,5-dione;hexadecan-1-amine
CID 118418755
1-ethenoxyhexane;hexan-1-amine
CID 88695112
5-ethenoxy-N,N-dipentylpentan-1-amine
CID 139652992
1-(2-ethenoxyethoxy)dodecane
CID 59950400
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]decane
CID 151662960
1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxyoctadecane;furan-2,5-dione?
The IUPAC name of 1-ethenoxyoctadecane;furan-2,5-dione (CID 86676835) is 1-ethenoxyoctadecane;furan-2,5-dione.
What is the SMILES notation for 1-ethenoxyoctadecane;furan-2,5-dione?
The canonical SMILES for 1-ethenoxyoctadecane;furan-2,5-dione is C=COCCCCCCCCCCCCCCCCCC.O=C1C=CC(=O)O1.
What is the InChIKey of 1-ethenoxyoctadecane;furan-2,5-dione?
The InChIKey is GKAWVMYDVURFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O.C4H2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2;5-3-1-2-4(6)7-3/h4H,2-3,5-20H2,1H3;1-2H.
What are the key properties of 1-ethenoxyoctadecane;furan-2,5-dione?
1-ethenoxyoctadecane;furan-2,5-dione has a molecular weight of 394.60 g/mol, XLogP of 7.03, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyoctadecane;furan-2,5-dione is sourced from PubChem (CID 86676835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).