8-hydroxydec-9-ene-3,4-dione

C10H16O3 — CID 91387103

IUPAC8-hydroxydec-9-ene-3,4-dione
SMILESC=CC(O)CCCC(=O)C(=O)CC
InChIInChI=1S/C10H16O3/c1-3-8(11)6-5-7-10(13)9(12)4-2/h3,8,11H,1,4-7H2,2H3
InChIKeyLVJBOWBFUSBOBX-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.25
Rot. Bonds7

About 8-hydroxydec-9-ene-3,4-dione

8-hydroxydec-9-ene-3,4-dione (PubChem CID 91387103) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 8-hydroxydec-9-ene-3,4-dione.

Molecular Properties

Compound Name8-hydroxydec-9-ene-3,4-dione
PubChem CID91387103
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name8-hydroxydec-9-ene-3,4-dione
SMILESC=CC(O)CCCC(=O)C(=O)CC
InChIInChI=1S/C10H16O3/c1-3-8(11)6-5-7-10(13)9(12)4-2/h3,8,11H,1,4-7H2,2H3
InChIKeyLVJBOWBFUSBOBX-UHFFFAOYSA-N
XLogP1.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-hydroxyundec-10-enoic Acid
CID 10465398
(S)-9-Hydroxy-10-undecenoic acid
CID 73242170
8-Hydroxy-9-pentadecene-11,13-diyn-2-one, (9E)-
CID 24786360
8-Hydroxypentadeca-9,13-dien-11-yn-2-one
CID 86163333
(E,8R)-8-hydroxypentadec-9-en-11,13-diyn-2-one
CID 121489413
(8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one
CID 162851888
(37S)-37-hydroxyhexatetracont-1-en-15-one
CID 163006727
7-Oxo-11-dodecen-3-ol
CID 14752697
Methyl 9-hydroxy-10-undecenate
CID 11127632
Methyl 6-Hydroxy-7-octenoate
CID 11275283
8-Hydroxy-9-decenoic acid
CID 19855884
7-Hydroxy-1-nonen-3-one
CID 20362369

Frequently Asked Questions

What is the IUPAC name of 8-hydroxydec-9-ene-3,4-dione?
The IUPAC name of 8-hydroxydec-9-ene-3,4-dione (CID 91387103) is 8-hydroxydec-9-ene-3,4-dione.
What is the SMILES notation for 8-hydroxydec-9-ene-3,4-dione?
The canonical SMILES for 8-hydroxydec-9-ene-3,4-dione is C=CC(O)CCCC(=O)C(=O)CC.
What is the InChIKey of 8-hydroxydec-9-ene-3,4-dione?
The InChIKey is LVJBOWBFUSBOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-8(11)6-5-7-10(13)9(12)4-2/h3,8,11H,1,4-7H2,2H3.
What are the key properties of 8-hydroxydec-9-ene-3,4-dione?
8-hydroxydec-9-ene-3,4-dione has a molecular weight of 184.23 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxydec-9-ene-3,4-dione is sourced from PubChem (CID 91387103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).