nonadecan-7-one

C19H38O — CID 12913434

IUPACnonadecan-7-one
SMILESCCCCCCCCCCCCC(=O)CCCCCC
InChIInChI=1S/C19H38O/c1-3-5-7-9-10-11-12-13-14-16-18-19(20)17-15-8-6-4-2/h3-18H2,1-2H3
InChIKeyHSWDMYOKZXEFAZ-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.84
Rot. Bonds16

About nonadecan-7-one

nonadecan-7-one (PubChem CID 12913434) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is nonadecan-7-one.

Molecular Properties

Compound Namenonadecan-7-one
PubChem CID12913434
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Namenonadecan-7-one
SMILESCCCCCCCCCCCCC(=O)CCCCCC
InChIInChI=1S/C19H38O/c1-3-5-7-9-10-11-12-13-14-16-18-19(20)17-15-8-6-4-2/h3-18H2,1-2H3
InChIKeyHSWDMYOKZXEFAZ-UHFFFAOYSA-N
XLogP6.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze nonadecan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentacosane-7,19-dione
CID 139254510
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
ethene;tridecan-7-one
CID 159715360
octadecan-4-one
CID 551672
icosane-4,15-dione
CID 123287171
tetracosane-3,13-dione
CID 143607999
1-hydroxyheptadecane-2,9-dione
CID 153452315

Frequently Asked Questions

What is the IUPAC name of nonadecan-7-one?
The IUPAC name of nonadecan-7-one (CID 12913434) is nonadecan-7-one.
What is the SMILES notation for nonadecan-7-one?
The canonical SMILES for nonadecan-7-one is CCCCCCCCCCCCC(=O)CCCCCC.
What is the InChIKey of nonadecan-7-one?
The InChIKey is HSWDMYOKZXEFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-3-5-7-9-10-11-12-13-14-16-18-19(20)17-15-8-6-4-2/h3-18H2,1-2H3.
What are the key properties of nonadecan-7-one?
nonadecan-7-one has a molecular weight of 282.51 g/mol, XLogP of 6.84, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecan-7-one is sourced from PubChem (CID 12913434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).