1,3-dihydroxypenta-2,4-dienylidenetungsten

C5H6O2W — CID 157079397

IUPAC1,3-dihydroxypenta-2,4-dienylidenetungsten
SMILESC=CC(O)=CC(O)=[W]
InChIInChI=1S/C5H6O2.W/c1-2-5(7)3-4-6;/h2-3,6-7H,1H2;
InChIKeyHADQKBRHYGFZEC-UHFFFAOYSA-N
MW281.94 g/mol
LogP0.66
Rot. Bonds2

About 1,3-dihydroxypenta-2,4-dienylidenetungsten

1,3-dihydroxypenta-2,4-dienylidenetungsten (PubChem CID 157079397) has the molecular formula C5H6O2W and a molecular weight of 281.94 g/mol. Its IUPAC name is 1,3-dihydroxypenta-2,4-dienylidenetungsten.

Molecular Properties

Compound Name1,3-dihydroxypenta-2,4-dienylidenetungsten
PubChem CID157079397
Molecular FormulaC5H6O2W
Molecular Weight281.94 g/mol
Exact Mass281.99
IUPAC Name1,3-dihydroxypenta-2,4-dienylidenetungsten
SMILESC=CC(O)=CC(O)=[W]
InChIInChI=1S/C5H6O2.W/c1-2-5(7)3-4-6;/h2-3,6-7H,1H2;
InChIKeyHADQKBRHYGFZEC-UHFFFAOYSA-N
XLogP0.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.94
LogP ≤ 50.66
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

(3E,5Z)-6-amino-5-bromo-6-chlorohexa-1,3,5-trien-3-ol
CID 89180508
(2E,4E)-3-ethylhepta-2,4,6-triene-2,5-diol
CID 142132997
(2E,4E)-3-aminohepta-2,4,6-triene-1,5-diol
CID 88926323
1-aminoprop-2-enylidenetungsten
CID 58978217
(1E)-1-(methylideneamino)buta-1,3-dien-2-ol
CID 143277804
but-1-ene;ethane;(3E)-hexa-1,3-dien-3-ol
CID 143333385
(3E)-6-methylhepta-1,3-dien-3-ol
CID 89230926
dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;prop-2-enoic acid
CID 158404852
(3Z)-hepta-1,3-dien-3-ol
CID 102117961
prop-2-enoic acid;pentahydrobromide
CID 172798031
bis(prop-2-enoic acid);hydrochloride
CID 88811054
cerium;bis(prop-2-enoic acid)
CID 169316659

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypenta-2,4-dienylidenetungsten?
The IUPAC name of 1,3-dihydroxypenta-2,4-dienylidenetungsten (CID 157079397) is 1,3-dihydroxypenta-2,4-dienylidenetungsten.
What is the SMILES notation for 1,3-dihydroxypenta-2,4-dienylidenetungsten?
The canonical SMILES for 1,3-dihydroxypenta-2,4-dienylidenetungsten is C=CC(O)=CC(O)=[W].
What is the InChIKey of 1,3-dihydroxypenta-2,4-dienylidenetungsten?
The InChIKey is HADQKBRHYGFZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.W/c1-2-5(7)3-4-6;/h2-3,6-7H,1H2;.
What are the key properties of 1,3-dihydroxypenta-2,4-dienylidenetungsten?
1,3-dihydroxypenta-2,4-dienylidenetungsten has a molecular weight of 281.94 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypenta-2,4-dienylidenetungsten is sourced from PubChem (CID 157079397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).