(Z)-hex-1-ene-1,2,6-triol

C6H12O3 — CID 21486162

IUPAC(Z)-hex-1-ene-1,2,6-triol
SMILESO/C=C(\O)CCCCO
InChIInChI=1S/C6H12O3/c7-4-2-1-3-6(9)5-8/h5,7-9H,1-4H2/b6-5-
InChIKeyRTUQKZCBZBMIAA-WAYWQWQTSA-N
MW132.16 g/mol
LogP1.11
Rot. Bonds4

About (Z)-hex-1-ene-1,2,6-triol

(Z)-hex-1-ene-1,2,6-triol (PubChem CID 21486162) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (Z)-hex-1-ene-1,2,6-triol.

Molecular Properties

Compound Name(Z)-hex-1-ene-1,2,6-triol
PubChem CID21486162
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(Z)-hex-1-ene-1,2,6-triol
SMILESO/C=C(\O)CCCCO
InChIInChI=1S/C6H12O3/c7-4-2-1-3-6(9)5-8/h5,7-9H,1-4H2/b6-5-
InChIKeyRTUQKZCBZBMIAA-WAYWQWQTSA-N
XLogP1.11
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylidene-8-hydroxyoctanoic acid
CID 123361618
5-hydroxypentanoic acid
CID 25945
methyl 3,16-dihydroxyhexadec-2-enoate
CID 146242421
benzene;butane-1,4-diol
CID 141209769
38-hydroxyoctatriacontanoic acid
CID 18981443
10-hydroxydecanoic acid
CID 138734563
31-hydroxyhentriacontanoic acid
CID 71339995
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
pentadecane-1,15-diol
CID 518994
hexane-1,6-diol;octane-1,8-diol
CID 21202869

Frequently Asked Questions

What is the IUPAC name of (Z)-hex-1-ene-1,2,6-triol?
The IUPAC name of (Z)-hex-1-ene-1,2,6-triol (CID 21486162) is (Z)-hex-1-ene-1,2,6-triol.
What is the SMILES notation for (Z)-hex-1-ene-1,2,6-triol?
The canonical SMILES for (Z)-hex-1-ene-1,2,6-triol is O/C=C(\O)CCCCO.
What is the InChIKey of (Z)-hex-1-ene-1,2,6-triol?
The InChIKey is RTUQKZCBZBMIAA-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12O3/c7-4-2-1-3-6(9)5-8/h5,7-9H,1-4H2/b6-5-.
What are the key properties of (Z)-hex-1-ene-1,2,6-triol?
(Z)-hex-1-ene-1,2,6-triol has a molecular weight of 132.16 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-1-ene-1,2,6-triol is sourced from PubChem (CID 21486162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).