hexane-1,6-diol;octane-1,8-diol

C14H32O4 — CID 21202869

IUPAChexane-1,6-diol;octane-1,8-diol
SMILESOCCCCCCCCO.OCCCCCCO
InChIInChI=1S/C8H18O2.C6H14O2/c9-7-5-3-1-2-4-6-8-10;7-5-3-1-2-4-6-8/h9-10H,1-8H2;7-8H,1-6H2
InChIKeyWZYDXURYIFAXRN-UHFFFAOYSA-N
MW264.41 g/mol
LogP1.84
Rot. Bonds12

About hexane-1,6-diol;octane-1,8-diol

hexane-1,6-diol;octane-1,8-diol (PubChem CID 21202869) has the molecular formula C14H32O4 and a molecular weight of 264.41 g/mol. Its IUPAC name is hexane-1,6-diol;octane-1,8-diol.

Molecular Properties

Compound Namehexane-1,6-diol;octane-1,8-diol
PubChem CID21202869
Molecular FormulaC14H32O4
Molecular Weight264.41 g/mol
Exact Mass264.23
IUPAC Namehexane-1,6-diol;octane-1,8-diol
SMILESOCCCCCCCCO.OCCCCCCO
InChIInChI=1S/C8H18O2.C6H14O2/c9-7-5-3-1-2-4-6-8-10;7-5-3-1-2-4-6-8/h9-10H,1-8H2;7-8H,1-6H2
InChIKeyWZYDXURYIFAXRN-UHFFFAOYSA-N
XLogP1.84
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentadecane-1,15-diol
CID 518994
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heptane-1,7-diol;nonane-1,9-diol
CID 174499055
tricosane-1,23-diol
CID 25144332
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
CID 158555375
CID 158555375
hexane-1,6-diol;hydroiodide
CID 175146639
methanediol;pentane-1,5-diol
CID 90027781
methane;tridecane-1,13-diol
CID 174975453
butane-1,4-diol;zinc
CID 170696072
CID 157146691
CID 157146691

Frequently Asked Questions

What is the IUPAC name of hexane-1,6-diol;octane-1,8-diol?
The IUPAC name of hexane-1,6-diol;octane-1,8-diol (CID 21202869) is hexane-1,6-diol;octane-1,8-diol.
What is the SMILES notation for hexane-1,6-diol;octane-1,8-diol?
The canonical SMILES for hexane-1,6-diol;octane-1,8-diol is OCCCCCCCCO.OCCCCCCO.
What is the InChIKey of hexane-1,6-diol;octane-1,8-diol?
The InChIKey is WZYDXURYIFAXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C6H14O2/c9-7-5-3-1-2-4-6-8-10;7-5-3-1-2-4-6-8/h9-10H,1-8H2;7-8H,1-6H2.
What are the key properties of hexane-1,6-diol;octane-1,8-diol?
hexane-1,6-diol;octane-1,8-diol has a molecular weight of 264.41 g/mol, XLogP of 1.84, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diol;octane-1,8-diol is sourced from PubChem (CID 21202869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).