2-hydroxynon-8-ene-4,5-dione;rutherfordium

C9H13O3Rf- — CID 59897270

IUPAC2-hydroxynon-8-ene-4,5-dione;rutherfordium
SMILESC=CCCC(=O)C(=O)CC([CH2-])O.[Rf]
InChIInChI=1S/C9H13O3.Rf/c1-3-4-5-8(11)9(12)6-7(2)10;/h3,7,10H,1-2,4-6H2;/q-1;
InChIKeyHPHOTBMIFRXXAC-UHFFFAOYSA-N
MW436.20 g/mol
LogP0.68
Rot. Bonds6

About 2-hydroxynon-8-ene-4,5-dione;rutherfordium

2-hydroxynon-8-ene-4,5-dione;rutherfordium (PubChem CID 59897270) has the molecular formula C9H13O3Rf- and a molecular weight of 436.20 g/mol. Its IUPAC name is 2-hydroxynon-8-ene-4,5-dione;rutherfordium.

Molecular Properties

Compound Name2-hydroxynon-8-ene-4,5-dione;rutherfordium
PubChem CID59897270
Molecular FormulaC9H13O3Rf-
Molecular Weight436.20 g/mol
Exact Mass436.21
IUPAC Name2-hydroxynon-8-ene-4,5-dione;rutherfordium
SMILESC=CCCC(=O)C(=O)CC([CH2-])O.[Rf]
InChIInChI=1S/C9H13O3.Rf/c1-3-4-5-8(11)9(12)6-7(2)10;/h3,7,10H,1-2,4-6H2;/q-1;
InChIKeyHPHOTBMIFRXXAC-UHFFFAOYSA-N
XLogP0.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-Dihydroxy-8-decen-5-one
CID 5283272
1,3-Dihydroxydec-8-en-5-one
CID 336434
(-)-(3R,8E)-1,3-Dihydroxy-8-decen-5-one
CID 10987002
1,3-Dihydroxy-8-decen-5-one; Streptenol-A
CID 5384628
2-Hydroxyoct-7-en-4-one
CID 13293599
4-Hydroxyoct-7-en-2-one
CID 10103273
(2S)-2-hydroxyoct-7-en-4-one
CID 13293600
(4S)-4-hydroxyoct-7-en-2-one
CID 13693321
1-Hydroxyoct-7-en-4-one
CID 14265348
(4R)-4-hydroxyoct-7-en-2-one
CID 102592058
(7R)-7-hydroxyoct-1-en-4-one
CID 135014137
3-Hydroxy-4,4-difluoro-1,9-decadiene-5-one
CID 16110804

Frequently Asked Questions

What is the IUPAC name of 2-hydroxynon-8-ene-4,5-dione;rutherfordium?
The IUPAC name of 2-hydroxynon-8-ene-4,5-dione;rutherfordium (CID 59897270) is 2-hydroxynon-8-ene-4,5-dione;rutherfordium.
What is the SMILES notation for 2-hydroxynon-8-ene-4,5-dione;rutherfordium?
The canonical SMILES for 2-hydroxynon-8-ene-4,5-dione;rutherfordium is C=CCCC(=O)C(=O)CC([CH2-])O.[Rf].
What is the InChIKey of 2-hydroxynon-8-ene-4,5-dione;rutherfordium?
The InChIKey is HPHOTBMIFRXXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3.Rf/c1-3-4-5-8(11)9(12)6-7(2)10;/h3,7,10H,1-2,4-6H2;/q-1;.
What are the key properties of 2-hydroxynon-8-ene-4,5-dione;rutherfordium?
2-hydroxynon-8-ene-4,5-dione;rutherfordium has a molecular weight of 436.20 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxynon-8-ene-4,5-dione;rutherfordium is sourced from PubChem (CID 59897270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).