1-hydroxyheptadecane-2,9-dione

C17H32O3 — CID 153452315

IUPAC1-hydroxyheptadecane-2,9-dione
SMILESCCCCCCCCC(=O)CCCCCCC(=O)CO
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14-17(20)15-18/h18H,2-15H2,1H3
InChIKeyXJUJSNFQZIJPKF-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.21
Rot. Bonds15

About 1-hydroxyheptadecane-2,9-dione

1-hydroxyheptadecane-2,9-dione (PubChem CID 153452315) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-hydroxyheptadecane-2,9-dione.

Molecular Properties

Compound Name1-hydroxyheptadecane-2,9-dione
PubChem CID153452315
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name1-hydroxyheptadecane-2,9-dione
SMILESCCCCCCCCC(=O)CCCCCCC(=O)CO
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14-17(20)15-18/h18H,2-15H2,1H3
InChIKeyXJUJSNFQZIJPKF-UHFFFAOYSA-N
XLogP4.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
dodecan-5-one
CID 29771
1-hydroxydotriacontan-15-one
CID 71420958
1-hydroxynonadecan-4-one
CID 91351841
1-hydroxytridecan-7-one
CID 87401341
28-hydroxyoctacosan-7-one
CID 15088059

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyheptadecane-2,9-dione?
The IUPAC name of 1-hydroxyheptadecane-2,9-dione (CID 153452315) is 1-hydroxyheptadecane-2,9-dione.
What is the SMILES notation for 1-hydroxyheptadecane-2,9-dione?
The canonical SMILES for 1-hydroxyheptadecane-2,9-dione is CCCCCCCCC(=O)CCCCCCC(=O)CO.
What is the InChIKey of 1-hydroxyheptadecane-2,9-dione?
The InChIKey is XJUJSNFQZIJPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14-17(20)15-18/h18H,2-15H2,1H3.
What are the key properties of 1-hydroxyheptadecane-2,9-dione?
1-hydroxyheptadecane-2,9-dione has a molecular weight of 284.44 g/mol, XLogP of 4.21, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyheptadecane-2,9-dione is sourced from PubChem (CID 153452315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).