tetradecyl tetradec-2-enoate

C28H54O2 — CID 71404583

IUPACtetradecyl tetradec-2-enoate
SMILESCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C28H54O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h24,26H,3-23,25,27H2,1-2H3
InChIKeyYVTOLJVMIWTRRN-UHFFFAOYSA-N
MW422.74 g/mol
LogP9.71
Rot. Bonds24

About tetradecyl tetradec-2-enoate

tetradecyl tetradec-2-enoate (PubChem CID 71404583) has the molecular formula C28H54O2 and a molecular weight of 422.74 g/mol. Its IUPAC name is tetradecyl tetradec-2-enoate.

Molecular Properties

Compound Nametetradecyl tetradec-2-enoate
PubChem CID71404583
Molecular FormulaC28H54O2
Molecular Weight422.74 g/mol
Exact Mass422.41
IUPAC Nametetradecyl tetradec-2-enoate
SMILESCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C28H54O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h24,26H,3-23,25,27H2,1-2H3
InChIKeyYVTOLJVMIWTRRN-UHFFFAOYSA-N
XLogP9.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

heptyl icos-2-enoate
CID 91580884
dodecyl octadec-2-enoate
CID 71338613
tetratriacontyl icos-2-enoate
CID 175935411
pentadecyl icos-2-enoate
CID 175935360
butyl icos-2-enoate
CID 91561454
bis[(E)-octadec-9-enyl] (E)-but-2-enedioate
CID 6436864
bis(dodec-7-enyl) (Z)-but-2-enedioate
CID 175499448
ethyl (E)-octadec-2-enoate
CID 10913939
ethyl tridec-2-enoate
CID 54010960
nonyl 5-acetyloxypent-2-enoate
CID 54396118
9,10-dioxooctadecyl hex-2-enoate
CID 71338103
didodecyl (Z)-but-2-enedioate
CID 5354846

Frequently Asked Questions

What is the IUPAC name of tetradecyl tetradec-2-enoate?
The IUPAC name of tetradecyl tetradec-2-enoate (CID 71404583) is tetradecyl tetradec-2-enoate.
What is the SMILES notation for tetradecyl tetradec-2-enoate?
The canonical SMILES for tetradecyl tetradec-2-enoate is CCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl tetradec-2-enoate?
The InChIKey is YVTOLJVMIWTRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h24,26H,3-23,25,27H2,1-2H3.
What are the key properties of tetradecyl tetradec-2-enoate?
tetradecyl tetradec-2-enoate has a molecular weight of 422.74 g/mol, XLogP of 9.71, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl tetradec-2-enoate is sourced from PubChem (CID 71404583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).