hexane-1,6-diol;pentane-2,3,4-triol

C11H26O5 — CID 126739216

IUPAChexane-1,6-diol;pentane-2,3,4-triol
SMILESCC(O)C(O)C(C)O.OCCCCCCO
InChIInChI=1S/C6H14O2.C5H12O3/c7-5-3-1-2-4-6-8;1-3(6)5(8)4(2)7/h7-8H,1-6H2;3-8H,1-2H3
InChIKeyWNMXFIQOOWQZLU-UHFFFAOYSA-N
MW238.32 g/mol
LogP-0.36
Rot. Bonds7

About hexane-1,6-diol;pentane-2,3,4-triol

hexane-1,6-diol;pentane-2,3,4-triol (PubChem CID 126739216) has the molecular formula C11H26O5 and a molecular weight of 238.32 g/mol. Its IUPAC name is hexane-1,6-diol;pentane-2,3,4-triol.

Molecular Properties

Compound Namehexane-1,6-diol;pentane-2,3,4-triol
PubChem CID126739216
Molecular FormulaC11H26O5
Molecular Weight238.32 g/mol
Exact Mass238.18
IUPAC Namehexane-1,6-diol;pentane-2,3,4-triol
SMILESCC(O)C(O)C(C)O.OCCCCCCO
InChIInChI=1S/C6H14O2.C5H12O3/c7-5-3-1-2-4-6-8;1-3(6)5(8)4(2)7/h7-8H,1-6H2;3-8H,1-2H3
InChIKeyWNMXFIQOOWQZLU-UHFFFAOYSA-N
XLogP-0.36
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hexane-1,6-diol;pentane-2,3,4-triol?
The IUPAC name of hexane-1,6-diol;pentane-2,3,4-triol (CID 126739216) is hexane-1,6-diol;pentane-2,3,4-triol.
What is the SMILES notation for hexane-1,6-diol;pentane-2,3,4-triol?
The canonical SMILES for hexane-1,6-diol;pentane-2,3,4-triol is CC(O)C(O)C(C)O.OCCCCCCO.
What is the InChIKey of hexane-1,6-diol;pentane-2,3,4-triol?
The InChIKey is WNMXFIQOOWQZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C5H12O3/c7-5-3-1-2-4-6-8;1-3(6)5(8)4(2)7/h7-8H,1-6H2;3-8H,1-2H3.
What are the key properties of hexane-1,6-diol;pentane-2,3,4-triol?
hexane-1,6-diol;pentane-2,3,4-triol has a molecular weight of 238.32 g/mol, XLogP of -0.36, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diol;pentane-2,3,4-triol is sourced from PubChem (CID 126739216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).