propyl undec-10-enoate

C14H26O2 — CID 548339

IUPACpropyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCCC
InChIInChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3H,1,4-13H2,2H3
InChIKeyWSIZDNPFIBZART-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.25
Rot. Bonds11

About propyl undec-10-enoate

propyl undec-10-enoate (PubChem CID 548339) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is propyl undec-10-enoate.

Molecular Properties

Compound Namepropyl undec-10-enoate
PubChem CID548339
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namepropyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCCC
InChIInChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3H,1,4-13H2,2H3
InChIKeyWSIZDNPFIBZART-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.25
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 propyl undec-10-enoate?
The IUPAC name of propyl undec-10-enoate (CID 548339) is propyl undec-10-enoate.
What is the SMILES notation for propyl undec-10-enoate?
The canonical SMILES for propyl undec-10-enoate is C=CCCCCCCCCC(=O)OCCC.
What is the InChIKey of propyl undec-10-enoate?
The InChIKey is WSIZDNPFIBZART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3H,1,4-13H2,2H3.
What are the key properties of propyl undec-10-enoate?
propyl undec-10-enoate has a molecular weight of 226.36 g/mol, XLogP of 4.25, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl undec-10-enoate is sourced from PubChem (CID 548339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).