hexane-1,6-diol;hydroiodide

C6H15IO2 — CID 175146639

IUPAChexane-1,6-diol;hydroiodide
SMILESI.OCCCCCCO
InChIInChI=1S/C6H14O2.HI/c7-5-3-1-2-4-6-8;/h7-8H,1-6H2;1H
InChIKeyCSZFWDRXPILMKL-UHFFFAOYSA-N
MW246.09 g/mol
LogP1.15
Rot. Bonds5

About hexane-1,6-diol;hydroiodide

hexane-1,6-diol;hydroiodide (PubChem CID 175146639) has the molecular formula C6H15IO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is hexane-1,6-diol;hydroiodide.

Molecular Properties

Compound Namehexane-1,6-diol;hydroiodide
PubChem CID175146639
Molecular FormulaC6H15IO2
Molecular Weight246.09 g/mol
Exact Mass246.01
IUPAC Namehexane-1,6-diol;hydroiodide
SMILESI.OCCCCCCO
InChIInChI=1S/C6H14O2.HI/c7-5-3-1-2-4-6-8;/h7-8H,1-6H2;1H
InChIKeyCSZFWDRXPILMKL-UHFFFAOYSA-N
XLogP1.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87338508
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CID 159258975
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CID 158555375
methanediol;pentane-1,5-diol
CID 90027781
methane;tridecane-1,13-diol
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Frequently Asked Questions

What is the IUPAC name of hexane-1,6-diol;hydroiodide?
The IUPAC name of hexane-1,6-diol;hydroiodide (CID 175146639) is hexane-1,6-diol;hydroiodide.
What is the SMILES notation for hexane-1,6-diol;hydroiodide?
The canonical SMILES for hexane-1,6-diol;hydroiodide is I.OCCCCCCO.
What is the InChIKey of hexane-1,6-diol;hydroiodide?
The InChIKey is CSZFWDRXPILMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.HI/c7-5-3-1-2-4-6-8;/h7-8H,1-6H2;1H.
What are the key properties of hexane-1,6-diol;hydroiodide?
hexane-1,6-diol;hydroiodide has a molecular weight of 246.09 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diol;hydroiodide is sourced from PubChem (CID 175146639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).