7,8-dihydroxyoctan-4-one

C8H16O3 — CID 82851073

IUPAC7,8-dihydroxyoctan-4-one
SMILESCCCC(=O)CCC(O)CO
InChIInChI=1S/C8H16O3/c1-2-3-7(10)4-5-8(11)6-9/h8-9,11H,2-6H2,1H3
InChIKeyUXHUPUYHSZZXGY-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.49
Rot. Bonds6

About 7,8-dihydroxyoctan-4-one

7,8-dihydroxyoctan-4-one (PubChem CID 82851073) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 7,8-dihydroxyoctan-4-one.

Molecular Properties

Compound Name7,8-dihydroxyoctan-4-one
PubChem CID82851073
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name7,8-dihydroxyoctan-4-one
SMILESCCCC(=O)CCC(O)CO
InChIInChI=1S/C8H16O3/c1-2-3-7(10)4-5-8(11)6-9/h8-9,11H,2-6H2,1H3
InChIKeyUXHUPUYHSZZXGY-UHFFFAOYSA-N
XLogP0.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxyoctan-4-one?
The IUPAC name of 7,8-dihydroxyoctan-4-one (CID 82851073) is 7,8-dihydroxyoctan-4-one.
What is the SMILES notation for 7,8-dihydroxyoctan-4-one?
The canonical SMILES for 7,8-dihydroxyoctan-4-one is CCCC(=O)CCC(O)CO.
What is the InChIKey of 7,8-dihydroxyoctan-4-one?
The InChIKey is UXHUPUYHSZZXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-2-3-7(10)4-5-8(11)6-9/h8-9,11H,2-6H2,1H3.
What are the key properties of 7,8-dihydroxyoctan-4-one?
7,8-dihydroxyoctan-4-one has a molecular weight of 160.21 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxyoctan-4-one is sourced from PubChem (CID 82851073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).