2,3,3-triiodonon-1-ene-1,1-diol

C9H15I3O2 — CID 118275822

IUPAC2,3,3-triiodonon-1-ene-1,1-diol
SMILESCCCCCCC(I)(I)C(I)=C(O)O
InChIInChI=1S/C9H15I3O2/c1-2-3-4-5-6-9(11,12)7(10)8(13)14/h13-14H,2-6H2,1H3
InChIKeyGTBLQFMELBZNHU-UHFFFAOYSA-N
MW535.93 g/mol
LogP5.24
Rot. Bonds6

About 2,3,3-triiodonon-1-ene-1,1-diol

2,3,3-triiodonon-1-ene-1,1-diol (PubChem CID 118275822) has the molecular formula C9H15I3O2 and a molecular weight of 535.93 g/mol. Its IUPAC name is 2,3,3-triiodonon-1-ene-1,1-diol.

Molecular Properties

Compound Name2,3,3-triiodonon-1-ene-1,1-diol
PubChem CID118275822
Molecular FormulaC9H15I3O2
Molecular Weight535.93 g/mol
Exact Mass535.82
IUPAC Name2,3,3-triiodonon-1-ene-1,1-diol
SMILESCCCCCCC(I)(I)C(I)=C(O)O
InChIInChI=1S/C9H15I3O2/c1-2-3-4-5-6-9(11,12)7(10)8(13)14/h13-14H,2-6H2,1H3
InChIKeyGTBLQFMELBZNHU-UHFFFAOYSA-N
XLogP5.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.93
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,1-diiododecan-1-ol
CID 118276104
silane;1,1,1-triiodooctadecane
CID 173345600
10,10-diiodononadecane
CID 154405241
2-iodo-2-methylnonane
CID 12714355
2-heptyl-2-methylpropanedioic acid
CID 89147986
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
triacontane-1,1,1-triol
CID 87376487
7-hexylhexadecan-7-ol
CID 141253911
docosane-10,10-diol
CID 20528880
tritriacontane-15,15,16,16-tetrol
CID 19863089
dodecane-1,1,1-triol
CID 22412604

Frequently Asked Questions

What is the IUPAC name of 2,3,3-triiodonon-1-ene-1,1-diol?
The IUPAC name of 2,3,3-triiodonon-1-ene-1,1-diol (CID 118275822) is 2,3,3-triiodonon-1-ene-1,1-diol.
What is the SMILES notation for 2,3,3-triiodonon-1-ene-1,1-diol?
The canonical SMILES for 2,3,3-triiodonon-1-ene-1,1-diol is CCCCCCC(I)(I)C(I)=C(O)O.
What is the InChIKey of 2,3,3-triiodonon-1-ene-1,1-diol?
The InChIKey is GTBLQFMELBZNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15I3O2/c1-2-3-4-5-6-9(11,12)7(10)8(13)14/h13-14H,2-6H2,1H3.
What are the key properties of 2,3,3-triiodonon-1-ene-1,1-diol?
2,3,3-triiodonon-1-ene-1,1-diol has a molecular weight of 535.93 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-triiodonon-1-ene-1,1-diol is sourced from PubChem (CID 118275822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).