6-hydroxypentadecane-7,8-dione

C15H28O3 — CID 57116193

IUPAC6-hydroxypentadecane-7,8-dione
SMILESCCCCCCCC(=O)C(=O)C(O)CCCCC
InChIInChI=1S/C15H28O3/c1-3-5-7-8-10-12-14(17)15(18)13(16)11-9-6-4-2/h13,16H,3-12H2,1-2H3
InChIKeyQANWEKMHLYUNLZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.43
Rot. Bonds12

About 6-hydroxypentadecane-7,8-dione

6-hydroxypentadecane-7,8-dione (PubChem CID 57116193) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-hydroxypentadecane-7,8-dione.

Molecular Properties

Compound Name6-hydroxypentadecane-7,8-dione
PubChem CID57116193
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name6-hydroxypentadecane-7,8-dione
SMILESCCCCCCCC(=O)C(=O)C(O)CCCCC
InChIInChI=1S/C15H28O3/c1-3-5-7-8-10-12-14(17)15(18)13(16)11-9-6-4-2/h13,16H,3-12H2,1-2H3
InChIKeyQANWEKMHLYUNLZ-UHFFFAOYSA-N
XLogP3.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1,2-dihydroxydecane-3,4-dione
CID 25023206
1,2-dihydroxynonane-3,4-dione
CID 56664339
(9R)-9-hydroxyhexadecan-8-one
CID 97045448
(9S)-9-hydroxyhexadecan-8-one
CID 97045447
15-hydroxyoctacosan-14-one
CID 11270216
(11S)-11-hydroxyicosan-10-one
CID 98053519
(2S)-2-hydroxyoctadecanoate
CID 21145041
3-hydroxynonane-4,5-dione
CID 89212568
2-hydroxydocosanoate
CID 22361325
3,4-dihydroxy-2-octanoyldodec-2-enoic acid
CID 174955657
zinc bis(2-hydroxyhexadecanoate)
CID 159204851
azanium 2-hydroxydodecanoate
CID 139935066

Frequently Asked Questions

What is the IUPAC name of 6-hydroxypentadecane-7,8-dione?
The IUPAC name of 6-hydroxypentadecane-7,8-dione (CID 57116193) is 6-hydroxypentadecane-7,8-dione.
What is the SMILES notation for 6-hydroxypentadecane-7,8-dione?
The canonical SMILES for 6-hydroxypentadecane-7,8-dione is CCCCCCCC(=O)C(=O)C(O)CCCCC.
What is the InChIKey of 6-hydroxypentadecane-7,8-dione?
The InChIKey is QANWEKMHLYUNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-3-5-7-8-10-12-14(17)15(18)13(16)11-9-6-4-2/h13,16H,3-12H2,1-2H3.
What are the key properties of 6-hydroxypentadecane-7,8-dione?
6-hydroxypentadecane-7,8-dione has a molecular weight of 256.39 g/mol, XLogP of 3.43, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxypentadecane-7,8-dione is sourced from PubChem (CID 57116193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).