1,2-diiodooctan-4-ol

C8H16I2O — CID 18920920

IUPAC1,2-diiodooctan-4-ol
SMILESCCCCC(O)CC(I)CI
InChIInChI=1S/C8H16I2O/c1-2-3-4-8(11)5-7(10)6-9/h7-8,11H,2-6H2,1H3
InChIKeyQEPTYEYRYPGLOT-UHFFFAOYSA-N
MW382.02 g/mol
LogP3.17
Rot. Bonds6

About 1,2-diiodooctan-4-ol

1,2-diiodooctan-4-ol (PubChem CID 18920920) has the molecular formula C8H16I2O and a molecular weight of 382.02 g/mol. Its IUPAC name is 1,2-diiodooctan-4-ol.

Molecular Properties

Compound Name1,2-diiodooctan-4-ol
PubChem CID18920920
Molecular FormulaC8H16I2O
Molecular Weight382.02 g/mol
Exact Mass381.93
IUPAC Name1,2-diiodooctan-4-ol
SMILESCCCCC(O)CC(I)CI
InChIInChI=1S/C8H16I2O/c1-2-3-4-8(11)5-7(10)6-9/h7-8,11H,2-6H2,1H3
InChIKeyQEPTYEYRYPGLOT-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.02
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R,7S)-undecane-5,7-diol
CID 10899409
(2R)-1,2-diiodohexane
CID 118680674
(5S,7R)-dodecane-5,7-diol
CID 12060471
decane-4,6-diol;scandium
CID 164810305
1-iododecan-2-ol
CID 10957011
CID 172776718
CID 172776718
nonane-3,5-diol;scandium
CID 164810293
(6S,8S)-heptacosane-6,8-diol
CID 10693038
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
hentriacontane-14,16-diol
CID 87514654
(5R,7S)-7-aminoundecan-5-ol
CID 13234597

Frequently Asked Questions

What is the IUPAC name of 1,2-diiodooctan-4-ol?
The IUPAC name of 1,2-diiodooctan-4-ol (CID 18920920) is 1,2-diiodooctan-4-ol.
What is the SMILES notation for 1,2-diiodooctan-4-ol?
The canonical SMILES for 1,2-diiodooctan-4-ol is CCCCC(O)CC(I)CI.
What is the InChIKey of 1,2-diiodooctan-4-ol?
The InChIKey is QEPTYEYRYPGLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16I2O/c1-2-3-4-8(11)5-7(10)6-9/h7-8,11H,2-6H2,1H3.
What are the key properties of 1,2-diiodooctan-4-ol?
1,2-diiodooctan-4-ol has a molecular weight of 382.02 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodooctan-4-ol is sourced from PubChem (CID 18920920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).