(1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol

C11H19IO — CID 10924349

IUPAC(1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol
SMILESCCCCC/C=C\C[C@H](O)/C=C/I
InChIInChI=1S/C11H19IO/c1-2-3-4-5-6-7-8-11(13)9-10-12/h6-7,9-11,13H,2-5,8H2,1H3/b7-6-,10-9+/t11-/m0/s1
InChIKeyLQPMFDUUYFIQJW-WFFPMSHRSA-N
MW294.18 g/mol
LogP3.82
Rot. Bonds7

About (1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol

(1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol (PubChem CID 10924349) has the molecular formula C11H19IO and a molecular weight of 294.18 g/mol. Its IUPAC name is (1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol
PubChem CID10924349
Molecular FormulaC11H19IO
Molecular Weight294.18 g/mol
Exact Mass294.05
IUPAC Name(1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol
SMILESCCCCC/C=C\C[C@H](O)/C=C/I
InChIInChI=1S/C11H19IO/c1-2-3-4-5-6-7-8-11(13)9-10-12/h6-7,9-11,13H,2-5,8H2,1H3/b7-6-,10-9+/t11-/m0/s1
InChIKeyLQPMFDUUYFIQJW-WFFPMSHRSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol?
The IUPAC name of (1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol (CID 10924349) is (1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol.
What is the SMILES notation for (1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol?
The canonical SMILES for (1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol is CCCCC/C=C\C[C@H](O)/C=C/I.
What is the InChIKey of (1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol?
The InChIKey is LQPMFDUUYFIQJW-WFFPMSHRSA-N. The full InChI is InChI=1S/C11H19IO/c1-2-3-4-5-6-7-8-11(13)9-10-12/h6-7,9-11,13H,2-5,8H2,1H3/b7-6-,10-9+/t11-/m0/s1.
What are the key properties of (1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol?
(1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol has a molecular weight of 294.18 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol is sourced from PubChem (CID 10924349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).