9,10-dihydroxyoctadecane-8,11-dione

C18H34O4 — CID 18629845

IUPAC9,10-dihydroxyoctadecane-8,11-dione
SMILESCCCCCCCC(=O)C(O)C(O)C(=O)CCCCCCC
InChIInChI=1S/C18H34O4/c1-3-5-7-9-11-13-15(19)17(21)18(22)16(20)14-12-10-8-6-4-2/h17-18,21-22H,3-14H2,1-2H3
InChIKeySDTWVSSIIUDMKR-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.57
Rot. Bonds15

About 9,10-dihydroxyoctadecane-8,11-dione

9,10-dihydroxyoctadecane-8,11-dione (PubChem CID 18629845) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 9,10-dihydroxyoctadecane-8,11-dione.

Molecular Properties

Compound Name9,10-dihydroxyoctadecane-8,11-dione
PubChem CID18629845
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name9,10-dihydroxyoctadecane-8,11-dione
SMILESCCCCCCCC(=O)C(O)C(O)C(=O)CCCCCCC
InChIInChI=1S/C18H34O4/c1-3-5-7-9-11-13-15(19)17(21)18(22)16(20)14-12-10-8-6-4-2/h17-18,21-22H,3-14H2,1-2H3
InChIKeySDTWVSSIIUDMKR-UHFFFAOYSA-N
XLogP3.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroxyoctadecane-8,11-dione?
The IUPAC name of 9,10-dihydroxyoctadecane-8,11-dione (CID 18629845) is 9,10-dihydroxyoctadecane-8,11-dione.
What is the SMILES notation for 9,10-dihydroxyoctadecane-8,11-dione?
The canonical SMILES for 9,10-dihydroxyoctadecane-8,11-dione is CCCCCCCC(=O)C(O)C(O)C(=O)CCCCCCC.
What is the InChIKey of 9,10-dihydroxyoctadecane-8,11-dione?
The InChIKey is SDTWVSSIIUDMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-3-5-7-9-11-13-15(19)17(21)18(22)16(20)14-12-10-8-6-4-2/h17-18,21-22H,3-14H2,1-2H3.
What are the key properties of 9,10-dihydroxyoctadecane-8,11-dione?
9,10-dihydroxyoctadecane-8,11-dione has a molecular weight of 314.47 g/mol, XLogP of 3.57, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroxyoctadecane-8,11-dione is sourced from PubChem (CID 18629845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).