(E)-4,7-dihydroxydec-5-ene-3,8-dione

C10H16O4 — CID 139635405

IUPAC(E)-4,7-dihydroxydec-5-ene-3,8-dione
SMILESCCC(=O)C(O)/C=C/C(O)C(=O)CC
InChIInChI=1S/C10H16O4/c1-3-7(11)9(13)5-6-10(14)8(12)4-2/h5-6,9-10,13-14H,3-4H2,1-2H3/b6-5+
InChIKeyOJAZROMWSXZRSG-AATRIKPKSA-N
MW200.23 g/mol
LogP0.22
Rot. Bonds6

About (E)-4,7-dihydroxydec-5-ene-3,8-dione

(E)-4,7-dihydroxydec-5-ene-3,8-dione (PubChem CID 139635405) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (E)-4,7-dihydroxydec-5-ene-3,8-dione.

Molecular Properties

Compound Name(E)-4,7-dihydroxydec-5-ene-3,8-dione
PubChem CID139635405
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(E)-4,7-dihydroxydec-5-ene-3,8-dione
SMILESCCC(=O)C(O)/C=C/C(O)C(=O)CC
InChIInChI=1S/C10H16O4/c1-3-7(11)9(13)5-6-10(14)8(12)4-2/h5-6,9-10,13-14H,3-4H2,1-2H3/b6-5+
InChIKeyOJAZROMWSXZRSG-AATRIKPKSA-N
XLogP0.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxyheptane-3,5-dione;uranium
CID 59435078
2-hydroxy-3-oxopentanoic acid
CID 71338185
4-hydroxy-5,5-dimethylhexan-3-one
CID 12692178
carbonic acid;2-hydroxypentan-3-one
CID 174710122
(4R)-4-methylheptan-3-one
CID 12696684
(4R,5S)-5-hydroxy-4-methylheptan-3-one
CID 10986363
aluminum;2-methylpentan-3-one;triiodide
CID 163663533
1-chloro-1-iodobutan-2-one
CID 89107344
2-aminopentan-3-one
CID 10986165
4-ethylhex-5-en-3-one
CID 130029751
(4S,5S)-6-chloro-4,5-dihydroxyhexan-3-one
CID 130664474
4-bromohexan-3-one
CID 119097290

Frequently Asked Questions

What is the IUPAC name of (E)-4,7-dihydroxydec-5-ene-3,8-dione?
The IUPAC name of (E)-4,7-dihydroxydec-5-ene-3,8-dione (CID 139635405) is (E)-4,7-dihydroxydec-5-ene-3,8-dione.
What is the SMILES notation for (E)-4,7-dihydroxydec-5-ene-3,8-dione?
The canonical SMILES for (E)-4,7-dihydroxydec-5-ene-3,8-dione is CCC(=O)C(O)/C=C/C(O)C(=O)CC.
What is the InChIKey of (E)-4,7-dihydroxydec-5-ene-3,8-dione?
The InChIKey is OJAZROMWSXZRSG-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-7(11)9(13)5-6-10(14)8(12)4-2/h5-6,9-10,13-14H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-4,7-dihydroxydec-5-ene-3,8-dione?
(E)-4,7-dihydroxydec-5-ene-3,8-dione has a molecular weight of 200.23 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,7-dihydroxydec-5-ene-3,8-dione is sourced from PubChem (CID 139635405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).