(1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol

C11H17IO — CID 23661056

IUPAC(1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol
SMILESCC/C=C\C/C=C\C[C@H](O)/C=C/I
InChIInChI=1S/C11H17IO/c1-2-3-4-5-6-7-8-11(13)9-10-12/h3-4,6-7,9-11,13H,2,5,8H2,1H3/b4-3-,7-6-,10-9+/t11-/m0/s1
InChIKeyNMRAHLLZSAFBSG-UTBDRFMXSA-N
MW292.16 g/mol
LogP3.60
Rot. Bonds6

About (1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol

(1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol (PubChem CID 23661056) has the molecular formula C11H17IO and a molecular weight of 292.16 g/mol. Its IUPAC name is (1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol.

Molecular Properties

Compound Name(1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol
PubChem CID23661056
Molecular FormulaC11H17IO
Molecular Weight292.16 g/mol
Exact Mass292.03
IUPAC Name(1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol
SMILESCC/C=C\C/C=C\C[C@H](O)/C=C/I
InChIInChI=1S/C11H17IO/c1-2-3-4-5-6-7-8-11(13)9-10-12/h3-4,6-7,9-11,13H,2,5,8H2,1H3/b4-3-,7-6-,10-9+/t11-/m0/s1
InChIKeyNMRAHLLZSAFBSG-UTBDRFMXSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-Octadien-3-ol
CID 205986
Undeca-1,5-dien-3-ol
CID 53981988
(5E)-octa-1,5-dien-3-ol
CID 6428570
1,5-Undecadien-4-ol
CID 3017534
Undeca-1,5-dien-4-ol
CID 6365607
(Z)-1,5-Octadien-3-ol
CID 6430307
(Z)-Nona-1,6-dien-3-ol
CID 20836173
(3R,5E)-octa-1,5-dien-3-ol
CID 87509936
Dictyoprolenol
CID 6444073
(5Z,8Z)-1,5,8-undecatriene-3,7-diol
CID 121232664
(5E)-undeca-1,5-dien-3-ol
CID 13641841
(1E,3S,5Z)-1-iodoundeca-1,5-dien-3-ol
CID 10924349

Frequently Asked Questions

What is the IUPAC name of (1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol?
The IUPAC name of (1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol (CID 23661056) is (1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol.
What is the SMILES notation for (1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol?
The canonical SMILES for (1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol is CC/C=C\C/C=C\C[C@H](O)/C=C/I.
What is the InChIKey of (1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol?
The InChIKey is NMRAHLLZSAFBSG-UTBDRFMXSA-N. The full InChI is InChI=1S/C11H17IO/c1-2-3-4-5-6-7-8-11(13)9-10-12/h3-4,6-7,9-11,13H,2,5,8H2,1H3/b4-3-,7-6-,10-9+/t11-/m0/s1.
What are the key properties of (1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol?
(1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol has a molecular weight of 292.16 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3S,5Z,8Z)-1-iodoundeca-1,5,8-trien-3-ol is sourced from PubChem (CID 23661056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).