(2S)-8-iodooctan-2-ol

C8H17IO — CID 139766789

IUPAC(2S)-8-iodooctan-2-ol
SMILESC[C@H](O)CCCCCCI
InChIInChI=1S/C8H17IO/c1-8(10)6-4-2-3-5-7-9/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyXKPRFBONGPNNMR-QMMMGPOBSA-N
MW256.13 g/mol
LogP2.75
Rot. Bonds6

About (2S)-8-iodooctan-2-ol

(2S)-8-iodooctan-2-ol (PubChem CID 139766789) has the molecular formula C8H17IO and a molecular weight of 256.13 g/mol. Its IUPAC name is (2S)-8-iodooctan-2-ol.

Molecular Properties

Compound Name(2S)-8-iodooctan-2-ol
PubChem CID139766789
Molecular FormulaC8H17IO
Molecular Weight256.13 g/mol
Exact Mass256.03
IUPAC Name(2S)-8-iodooctan-2-ol
SMILESC[C@H](O)CCCCCCI
InChIInChI=1S/C8H17IO/c1-8(10)6-4-2-3-5-7-9/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyXKPRFBONGPNNMR-QMMMGPOBSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-iodo-21-methyldocosane
CID 140840720
(2R)-4-iodobutan-2-ol
CID 13089080
heptane;heptan-2-ol
CID 157400640
(2S)-octadecan-2-ol
CID 25022019
1,8-diiodononane
CID 168864675
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
henicosan-2-ol
CID 14151023
octan-2-ol;vanadium
CID 175998662

Frequently Asked Questions

What is the IUPAC name of (2S)-8-iodooctan-2-ol?
The IUPAC name of (2S)-8-iodooctan-2-ol (CID 139766789) is (2S)-8-iodooctan-2-ol.
What is the SMILES notation for (2S)-8-iodooctan-2-ol?
The canonical SMILES for (2S)-8-iodooctan-2-ol is C[C@H](O)CCCCCCI.
What is the InChIKey of (2S)-8-iodooctan-2-ol?
The InChIKey is XKPRFBONGPNNMR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17IO/c1-8(10)6-4-2-3-5-7-9/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-8-iodooctan-2-ol?
(2S)-8-iodooctan-2-ol has a molecular weight of 256.13 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-iodooctan-2-ol is sourced from PubChem (CID 139766789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).