(2Z,4Z)-hepta-2,4,6-triene-2,3-diol

C7H10O2 — CID 130419647

IUPAC(2Z,4Z)-hepta-2,4,6-triene-2,3-diol
SMILESC=C/C=C\C(O)=C(/C)O
InChIInChI=1S/C7H10O2/c1-3-4-5-7(9)6(2)8/h3-5,8-9H,1H2,2H3/b5-4-,7-6-
InChIKeyUDWRMPIANNUWJS-RZSVFLSASA-N
MW126.15 g/mol
LogP2.08
Rot. Bonds2

About (2Z,4Z)-hepta-2,4,6-triene-2,3-diol

(2Z,4Z)-hepta-2,4,6-triene-2,3-diol (PubChem CID 130419647) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (2Z,4Z)-hepta-2,4,6-triene-2,3-diol.

Molecular Properties

Compound Name(2Z,4Z)-hepta-2,4,6-triene-2,3-diol
PubChem CID130419647
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(2Z,4Z)-hepta-2,4,6-triene-2,3-diol
SMILESC=C/C=C\C(O)=C(/C)O
InChIInChI=1S/C7H10O2/c1-3-4-5-7(9)6(2)8/h3-5,8-9H,1H2,2H3/b5-4-,7-6-
InChIKeyUDWRMPIANNUWJS-RZSVFLSASA-N
XLogP2.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
ethane;(2Z)-penta-2,4-dienamide
CID 143902044
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878
(2Z,4Z)-2-phosphanylhepta-2,4,6-trien-3-amine
CID 139493202
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
(2E,4E)-hepta-2,4,6-trien-2-ol
CID 173388700
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
CID 134369186

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-hepta-2,4,6-triene-2,3-diol?
The IUPAC name of (2Z,4Z)-hepta-2,4,6-triene-2,3-diol (CID 130419647) is (2Z,4Z)-hepta-2,4,6-triene-2,3-diol.
What is the SMILES notation for (2Z,4Z)-hepta-2,4,6-triene-2,3-diol?
The canonical SMILES for (2Z,4Z)-hepta-2,4,6-triene-2,3-diol is C=C/C=C\C(O)=C(/C)O.
What is the InChIKey of (2Z,4Z)-hepta-2,4,6-triene-2,3-diol?
The InChIKey is UDWRMPIANNUWJS-RZSVFLSASA-N. The full InChI is InChI=1S/C7H10O2/c1-3-4-5-7(9)6(2)8/h3-5,8-9H,1H2,2H3/b5-4-,7-6-.
What are the key properties of (2Z,4Z)-hepta-2,4,6-triene-2,3-diol?
(2Z,4Z)-hepta-2,4,6-triene-2,3-diol has a molecular weight of 126.15 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-hepta-2,4,6-triene-2,3-diol is sourced from PubChem (CID 130419647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).