(E)-5-methylhex-3-ene-1,2,5-triol

C7H14O3 — CID 130145462

IUPAC(E)-5-methylhex-3-ene-1,2,5-triol
SMILESCC(C)(O)/C=C/C(O)CO
InChIInChI=1S/C7H14O3/c1-7(2,10)4-3-6(9)5-8/h3-4,6,8-10H,5H2,1-2H3/b4-3+
InChIKeyPNCOKXUSQIQGDF-ONEGZZNKSA-N
MW146.19 g/mol
LogP-0.33
Rot. Bonds3

About (E)-5-methylhex-3-ene-1,2,5-triol

(E)-5-methylhex-3-ene-1,2,5-triol (PubChem CID 130145462) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (E)-5-methylhex-3-ene-1,2,5-triol.

Molecular Properties

Compound Name(E)-5-methylhex-3-ene-1,2,5-triol
PubChem CID130145462
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(E)-5-methylhex-3-ene-1,2,5-triol
SMILESCC(C)(O)/C=C/C(O)CO
InChIInChI=1S/C7H14O3/c1-7(2,10)4-3-6(9)5-8/h3-4,6,8-10H,5H2,1-2H3/b4-3+
InChIKeyPNCOKXUSQIQGDF-ONEGZZNKSA-N
XLogP-0.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Hexene-2,5-diol
CID 5363299
Safynol
CID 6442707
(3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
CID 131751993
[(3R,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol
CID 12160124
3,11-Tridecadiene-5,7,9-triyne-1,2-diol
CID 6123027
2-Methylbut-3-ene-1,2-diol
CID 185554
CID 3036540
CID 3036540
(2S,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
CID 5281155
2,6-Octadiene-4,5-diol
CID 5366238
3-Hexen-2,5-diol
CID 246990
1,5-Heptadiene-3,4-diol
CID 5366240
(3S,4S,5E,11E)-trideca-1,5,11-trien-7,9-diyne-3,4-diol
CID 99644725

Frequently Asked Questions

What is the IUPAC name of (E)-5-methylhex-3-ene-1,2,5-triol?
The IUPAC name of (E)-5-methylhex-3-ene-1,2,5-triol (CID 130145462) is (E)-5-methylhex-3-ene-1,2,5-triol.
What is the SMILES notation for (E)-5-methylhex-3-ene-1,2,5-triol?
The canonical SMILES for (E)-5-methylhex-3-ene-1,2,5-triol is CC(C)(O)/C=C/C(O)CO.
What is the InChIKey of (E)-5-methylhex-3-ene-1,2,5-triol?
The InChIKey is PNCOKXUSQIQGDF-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2,10)4-3-6(9)5-8/h3-4,6,8-10H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-5-methylhex-3-ene-1,2,5-triol?
(E)-5-methylhex-3-ene-1,2,5-triol has a molecular weight of 146.19 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methylhex-3-ene-1,2,5-triol is sourced from PubChem (CID 130145462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).