(5E)-hepta-1,5-diene-3,4-diol

C7H12O2 — CID 5366240

IUPAC(5E)-hepta-1,5-diene-3,4-diol
SMILESC=CC(O)C(O)/C=C/C
InChIInChI=1S/C7H12O2/c1-3-5-7(9)6(8)4-2/h3-9H,2H2,1H3/b5-3+
InChIKeyADXMFHMYYFZEGM-HWKANZROSA-N
MW128.17 g/mol
LogP0.47
Rot. Bonds3

About (5E)-hepta-1,5-diene-3,4-diol

(5E)-hepta-1,5-diene-3,4-diol (PubChem CID 5366240) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (5E)-hepta-1,5-diene-3,4-diol.

Molecular Properties

Compound Name(5E)-hepta-1,5-diene-3,4-diol
PubChem CID5366240
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(5E)-hepta-1,5-diene-3,4-diol
SMILESC=CC(O)C(O)/C=C/C
InChIInChI=1S/C7H12O2/c1-3-5-7(9)6(8)4-2/h3-9H,2H2,1H3/b5-3+
InChIKeyADXMFHMYYFZEGM-HWKANZROSA-N
XLogP0.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-Octadien-3-ol
CID 205986
Divinyl glycol
CID 14042
3-Hexene-2,5-diol
CID 5363299
(1R,2R)-cyclohexa-3,5-diene-1,2-diol
CID 149186
Cis-1,2-dihydrocatechol
CID 176951
5,6-Dihydroxycyclohexa-1,3-diene
CID 418
(5E)-octa-1,5-dien-3-ol
CID 6428570
Hex-4-en-3-ol
CID 5366234
2-Hepten-4-ol
CID 5366235
Safynol
CID 6442707
Hept-3-en-2-ol
CID 5366262
Npc177874
CID 5807986

Frequently Asked Questions

What is the IUPAC name of (5E)-hepta-1,5-diene-3,4-diol?
The IUPAC name of (5E)-hepta-1,5-diene-3,4-diol (CID 5366240) is (5E)-hepta-1,5-diene-3,4-diol.
What is the SMILES notation for (5E)-hepta-1,5-diene-3,4-diol?
The canonical SMILES for (5E)-hepta-1,5-diene-3,4-diol is C=CC(O)C(O)/C=C/C.
What is the InChIKey of (5E)-hepta-1,5-diene-3,4-diol?
The InChIKey is ADXMFHMYYFZEGM-HWKANZROSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-5-7(9)6(8)4-2/h3-9H,2H2,1H3/b5-3+.
What are the key properties of (5E)-hepta-1,5-diene-3,4-diol?
(5E)-hepta-1,5-diene-3,4-diol has a molecular weight of 128.17 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-hepta-1,5-diene-3,4-diol is sourced from PubChem (CID 5366240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).