(2S,3S)-2-iodopentane-1,3-diol

C5H11IO2 — CID 100997692

IUPAC(2S,3S)-2-iodopentane-1,3-diol
SMILESCC[C@H](O)[C@@H](I)CO
InChIInChI=1S/C5H11IO2/c1-2-5(8)4(6)3-7/h4-5,7-8H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyBSOKRJSHOYWINI-WHFBIAKZSA-N
MW230.04 g/mol
LogP0.55
Rot. Bonds3

About (2S,3S)-2-iodopentane-1,3-diol

(2S,3S)-2-iodopentane-1,3-diol (PubChem CID 100997692) has the molecular formula C5H11IO2 and a molecular weight of 230.04 g/mol. Its IUPAC name is (2S,3S)-2-iodopentane-1,3-diol.

Molecular Properties

Compound Name(2S,3S)-2-iodopentane-1,3-diol
PubChem CID100997692
Molecular FormulaC5H11IO2
Molecular Weight230.04 g/mol
Exact Mass229.98
IUPAC Name(2S,3S)-2-iodopentane-1,3-diol
SMILESCC[C@H](O)[C@@H](I)CO
InChIInChI=1S/C5H11IO2/c1-2-5(8)4(6)3-7/h4-5,7-8H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyBSOKRJSHOYWINI-WHFBIAKZSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-4-iodohexan-3-ol
CID 101027054
4-iodoheptan-3-ol
CID 139645711
(2S,3S)-pentane-1,2,3-triol
CID 11636797
pentane-1,2,3-triol
CID 547785
4-bromo-2-iodobutane-1,3-diol
CID 57064895
2,3-diiodobutane-1,4-diol
CID 134177181
heptane-1,2,3,4,5-pentol
CID 21365644
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
2-(hydroxymethyl)pentane-1,1,3-triol
CID 174486328
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
[(2R,3R)-3-hydroxy-2-iodopentyl] acetate
CID 134992764
(2S)-2-propan-2-ylpentane-1,3-diol
CID 59911349

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-iodopentane-1,3-diol?
The IUPAC name of (2S,3S)-2-iodopentane-1,3-diol (CID 100997692) is (2S,3S)-2-iodopentane-1,3-diol.
What is the SMILES notation for (2S,3S)-2-iodopentane-1,3-diol?
The canonical SMILES for (2S,3S)-2-iodopentane-1,3-diol is CC[C@H](O)[C@@H](I)CO.
What is the InChIKey of (2S,3S)-2-iodopentane-1,3-diol?
The InChIKey is BSOKRJSHOYWINI-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H11IO2/c1-2-5(8)4(6)3-7/h4-5,7-8H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2-iodopentane-1,3-diol?
(2S,3S)-2-iodopentane-1,3-diol has a molecular weight of 230.04 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-iodopentane-1,3-diol is sourced from PubChem (CID 100997692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).