undec-10-enyl 2-methoxyacetate

C14H26O3 — CID 542173

IUPACundec-10-enyl 2-methoxyacetate
SMILESC=CCCCCCCCCCOC(=O)COC
InChIInChI=1S/C14H26O3/c1-3-4-5-6-7-8-9-10-11-12-17-14(15)13-16-2/h3H,1,4-13H2,2H3
InChIKeyXLSYXPCIXRAHMB-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.48
Rot. Bonds12

About undec-10-enyl 2-methoxyacetate

undec-10-enyl 2-methoxyacetate (PubChem CID 542173) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is undec-10-enyl 2-methoxyacetate.

Molecular Properties

Compound Nameundec-10-enyl 2-methoxyacetate
PubChem CID542173
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameundec-10-enyl 2-methoxyacetate
SMILESC=CCCCCCCCCCOC(=O)COC
InChIInChI=1S/C14H26O3/c1-3-4-5-6-7-8-9-10-11-12-17-14(15)13-16-2/h3H,1,4-13H2,2H3
InChIKeyXLSYXPCIXRAHMB-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 undec-10-enyl 2-methoxyacetate?
The IUPAC name of undec-10-enyl 2-methoxyacetate (CID 542173) is undec-10-enyl 2-methoxyacetate.
What is the SMILES notation for undec-10-enyl 2-methoxyacetate?
The canonical SMILES for undec-10-enyl 2-methoxyacetate is C=CCCCCCCCCCOC(=O)COC.
What is the InChIKey of undec-10-enyl 2-methoxyacetate?
The InChIKey is XLSYXPCIXRAHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-4-5-6-7-8-9-10-11-12-17-14(15)13-16-2/h3H,1,4-13H2,2H3.
What are the key properties of undec-10-enyl 2-methoxyacetate?
undec-10-enyl 2-methoxyacetate has a molecular weight of 242.36 g/mol, XLogP of 3.48, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2-methoxyacetate is sourced from PubChem (CID 542173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).