tert-butyl undec-10-enoate

C15H28O2 — CID 545318

IUPACtert-butyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC(C)(C)C
InChIInChI=1S/C15H28O2/c1-5-6-7-8-9-10-11-12-13-14(16)17-15(2,3)4/h5H,1,6-13H2,2-4H3
InChIKeyRKOBCJCSWMKBEH-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.63
Rot. Bonds9

About tert-butyl undec-10-enoate

tert-butyl undec-10-enoate (PubChem CID 545318) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is tert-butyl undec-10-enoate.

Molecular Properties

Compound Nametert-butyl undec-10-enoate
PubChem CID545318
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nametert-butyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC(C)(C)C
InChIInChI=1S/C15H28O2/c1-5-6-7-8-9-10-11-12-13-14(16)17-15(2,3)4/h5H,1,6-13H2,2-4H3
InChIKeyRKOBCJCSWMKBEH-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl undec-10-enoate?
The IUPAC name of tert-butyl undec-10-enoate (CID 545318) is tert-butyl undec-10-enoate.
What is the SMILES notation for tert-butyl undec-10-enoate?
The canonical SMILES for tert-butyl undec-10-enoate is C=CCCCCCCCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl undec-10-enoate?
The InChIKey is RKOBCJCSWMKBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-6-7-8-9-10-11-12-13-14(16)17-15(2,3)4/h5H,1,6-13H2,2-4H3.
What are the key properties of tert-butyl undec-10-enoate?
tert-butyl undec-10-enoate has a molecular weight of 240.39 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl undec-10-enoate is sourced from PubChem (CID 545318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).