1-tetradecanoyloxyethenyl tetradecanoate

C30H56O4 — CID 141442366

IUPAC1-tetradecanoyloxyethenyl tetradecanoate
SMILESC=C(OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C30H56O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-29(31)33-28(3)34-30(32)27-25-23-21-19-17-15-13-11-9-7-5-2/h3-27H2,1-2H3
InChIKeyZRJRKYJOOYHXIX-UHFFFAOYSA-N
MW480.77 g/mol
LogP9.95
Rot. Bonds26

About 1-tetradecanoyloxyethenyl tetradecanoate

1-tetradecanoyloxyethenyl tetradecanoate (PubChem CID 141442366) has the molecular formula C30H56O4 and a molecular weight of 480.77 g/mol. Its IUPAC name is 1-tetradecanoyloxyethenyl tetradecanoate.

Molecular Properties

Compound Name1-tetradecanoyloxyethenyl tetradecanoate
PubChem CID141442366
Molecular FormulaC30H56O4
Molecular Weight480.77 g/mol
Exact Mass480.42
IUPAC Name1-tetradecanoyloxyethenyl tetradecanoate
SMILESC=C(OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C30H56O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-29(31)33-28(3)34-30(32)27-25-23-21-19-17-15-13-11-9-7-5-2/h3-27H2,1-2H3
InChIKeyZRJRKYJOOYHXIX-UHFFFAOYSA-N
XLogP9.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.77
LogP ≤ 59.95
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'}

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Related Compounds

henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
1-chloroethenyl dodecanoate
CID 11149641
dimagnesium;hydride;octanoyl nonanoate
CID 173350216
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
dodecanoyl dodecanoate;ethanol
CID 157135932
lithium;hydride;octadecanoyl octadecanoate
CID 173213572

Frequently Asked Questions

What is the IUPAC name of 1-tetradecanoyloxyethenyl tetradecanoate?
The IUPAC name of 1-tetradecanoyloxyethenyl tetradecanoate (CID 141442366) is 1-tetradecanoyloxyethenyl tetradecanoate.
What is the SMILES notation for 1-tetradecanoyloxyethenyl tetradecanoate?
The canonical SMILES for 1-tetradecanoyloxyethenyl tetradecanoate is C=C(OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC.
What is the InChIKey of 1-tetradecanoyloxyethenyl tetradecanoate?
The InChIKey is ZRJRKYJOOYHXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-29(31)33-28(3)34-30(32)27-25-23-21-19-17-15-13-11-9-7-5-2/h3-27H2,1-2H3.
What are the key properties of 1-tetradecanoyloxyethenyl tetradecanoate?
1-tetradecanoyloxyethenyl tetradecanoate has a molecular weight of 480.77 g/mol, XLogP of 9.95, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecanoyloxyethenyl tetradecanoate is sourced from PubChem (CID 141442366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).