methyl (E)-11-iodoundec-10-enoate

C12H21IO2 — CID 12653836

IUPACmethyl (E)-11-iodoundec-10-enoate
SMILESCOC(=O)CCCCCCCC/C=C/I
InChIInChI=1S/C12H21IO2/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h9,11H,2-8,10H2,1H3/b11-9+
InChIKeyUMVBZCMXSZXVJH-PKNBQFBNSA-N
MW324.20 g/mol
LogP4.23
Rot. Bonds9

About methyl (E)-11-iodoundec-10-enoate

methyl (E)-11-iodoundec-10-enoate (PubChem CID 12653836) has the molecular formula C12H21IO2 and a molecular weight of 324.20 g/mol. Its IUPAC name is methyl (E)-11-iodoundec-10-enoate.

Molecular Properties

Compound Namemethyl (E)-11-iodoundec-10-enoate
PubChem CID12653836
Molecular FormulaC12H21IO2
Molecular Weight324.20 g/mol
Exact Mass324.06
IUPAC Namemethyl (E)-11-iodoundec-10-enoate
SMILESCOC(=O)CCCCCCCC/C=C/I
InChIInChI=1S/C12H21IO2/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h9,11H,2-8,10H2,1H3/b11-9+
InChIKeyUMVBZCMXSZXVJH-PKNBQFBNSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-19-iodononadec-18-enoate
CID 13463205
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl 16-iodohexadec-11-enoate
CID 123758185
dimethyl (11E,13E,15E,17E,19E,21E)-dotriaconta-11,13,15,17,19,21-hexaenedioate
CID 12073776
dimethyl (E)-hexacos-3-enedioate
CID 118195406
methyl (E)-hexadec-11-enoate
CID 5364696
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
(Z)-16-methoxy-16-oxohexadec-7-enoic acid
CID 156891963
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440

Frequently Asked Questions

What is the IUPAC name of methyl (E)-11-iodoundec-10-enoate?
The IUPAC name of methyl (E)-11-iodoundec-10-enoate (CID 12653836) is methyl (E)-11-iodoundec-10-enoate.
What is the SMILES notation for methyl (E)-11-iodoundec-10-enoate?
The canonical SMILES for methyl (E)-11-iodoundec-10-enoate is COC(=O)CCCCCCCC/C=C/I.
What is the InChIKey of methyl (E)-11-iodoundec-10-enoate?
The InChIKey is UMVBZCMXSZXVJH-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H21IO2/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h9,11H,2-8,10H2,1H3/b11-9+.
What are the key properties of methyl (E)-11-iodoundec-10-enoate?
methyl (E)-11-iodoundec-10-enoate has a molecular weight of 324.20 g/mol, XLogP of 4.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-11-iodoundec-10-enoate is sourced from PubChem (CID 12653836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).