methyl (E)-11-acetyloxyundec-9-enoate

C14H24O4 — CID 11666043

IUPACmethyl (E)-11-acetyloxyundec-9-enoate
SMILESCOC(=O)CCCCCCC/C=C/COC(C)=O
InChIInChI=1S/C14H24O4/c1-13(15)18-12-10-8-6-4-3-5-7-9-11-14(16)17-2/h8,10H,3-7,9,11-12H2,1-2H3/b10-8+
InChIKeyYPDNBSHBVJALIM-CSKARUKUSA-N
MW256.34 g/mol
LogP3.01
Rot. Bonds10

About methyl (E)-11-acetyloxyundec-9-enoate

methyl (E)-11-acetyloxyundec-9-enoate (PubChem CID 11666043) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is methyl (E)-11-acetyloxyundec-9-enoate.

Molecular Properties

Compound Namemethyl (E)-11-acetyloxyundec-9-enoate
PubChem CID11666043
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namemethyl (E)-11-acetyloxyundec-9-enoate
SMILESCOC(=O)CCCCCCC/C=C/COC(C)=O
InChIInChI=1S/C14H24O4/c1-13(15)18-12-10-8-6-4-3-5-7-9-11-14(16)17-2/h8,10H,3-7,9,11-12H2,1-2H3/b10-8+
InChIKeyYPDNBSHBVJALIM-CSKARUKUSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl (E)-11-acetyloxyundec-9-enoate?
The IUPAC name of methyl (E)-11-acetyloxyundec-9-enoate (CID 11666043) is methyl (E)-11-acetyloxyundec-9-enoate.
What is the SMILES notation for methyl (E)-11-acetyloxyundec-9-enoate?
The canonical SMILES for methyl (E)-11-acetyloxyundec-9-enoate is COC(=O)CCCCCCC/C=C/COC(C)=O.
What is the InChIKey of methyl (E)-11-acetyloxyundec-9-enoate?
The InChIKey is YPDNBSHBVJALIM-CSKARUKUSA-N. The full InChI is InChI=1S/C14H24O4/c1-13(15)18-12-10-8-6-4-3-5-7-9-11-14(16)17-2/h8,10H,3-7,9,11-12H2,1-2H3/b10-8+.
What are the key properties of methyl (E)-11-acetyloxyundec-9-enoate?
methyl (E)-11-acetyloxyundec-9-enoate has a molecular weight of 256.34 g/mol, XLogP of 3.01, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-11-acetyloxyundec-9-enoate is sourced from PubChem (CID 11666043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).