(3R,4R)-4-iodononane-1,3-diol

C9H19IO2 — CID 134992570

IUPAC(3R,4R)-4-iodononane-1,3-diol
SMILESCCCCC[C@@H](I)[C@H](O)CCO
InChIInChI=1S/C9H19IO2/c1-2-3-4-5-8(10)9(12)6-7-11/h8-9,11-12H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyZAKURNXQLDCBBN-RKDXNWHRSA-N
MW286.15 g/mol
LogP2.11
Rot. Bonds7

About (3R,4R)-4-iodononane-1,3-diol

(3R,4R)-4-iodononane-1,3-diol (PubChem CID 134992570) has the molecular formula C9H19IO2 and a molecular weight of 286.15 g/mol. Its IUPAC name is (3R,4R)-4-iodononane-1,3-diol.

Molecular Properties

Compound Name(3R,4R)-4-iodononane-1,3-diol
PubChem CID134992570
Molecular FormulaC9H19IO2
Molecular Weight286.15 g/mol
Exact Mass286.04
IUPAC Name(3R,4R)-4-iodononane-1,3-diol
SMILESCCCCC[C@@H](I)[C@H](O)CCO
InChIInChI=1S/C9H19IO2/c1-2-3-4-5-8(10)9(12)6-7-11/h8-9,11-12H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyZAKURNXQLDCBBN-RKDXNWHRSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

1,2-diiodooctan-3-ol
CID 18921153
4-ethylnonadecane-1,3-diol
CID 57082750
7-methyloctadecane-1,3,4-triol
CID 154366678
3-butylnonane-1,4-diol
CID 87416344
3-aminononane-1,4-diol
CID 87704254
1-iodohexacosan-1-ol
CID 87167039
2-methyldodecane-3,4-diol
CID 103456553
butan-1-ol;1,1-dichloroheptane
CID 88631006
nonacosane-14,15-diol
CID 91509633
3-pentylundecan-1-ol
CID 118576679
3-octyltridecan-1-ol
CID 13109029
2,3-diiododecane
CID 14475432

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-iodononane-1,3-diol?
The IUPAC name of (3R,4R)-4-iodononane-1,3-diol (CID 134992570) is (3R,4R)-4-iodononane-1,3-diol.
What is the SMILES notation for (3R,4R)-4-iodononane-1,3-diol?
The canonical SMILES for (3R,4R)-4-iodononane-1,3-diol is CCCCC[C@@H](I)[C@H](O)CCO.
What is the InChIKey of (3R,4R)-4-iodononane-1,3-diol?
The InChIKey is ZAKURNXQLDCBBN-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19IO2/c1-2-3-4-5-8(10)9(12)6-7-11/h8-9,11-12H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-4-iodononane-1,3-diol?
(3R,4R)-4-iodononane-1,3-diol has a molecular weight of 286.15 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-iodononane-1,3-diol is sourced from PubChem (CID 134992570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).