nonadecan-10-one

C19H38O — CID 10441

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

About nonadecan-10-one

nonadecan-10-one (PubChem CID 10441) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is nonadecan-10-one.

Molecular Properties

Compound Namenonadecan-10-one
PubChem CID10441
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Namenonadecan-10-one
SMILESCCCCCCCCCC(=O)CCCCCCCCC
InChIInChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyYUPOCHDBBHTUBJ-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'}

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Related Compounds

2-Undecanone
CID 8163
2-Tridecanone
CID 11622
3-Octanone
CID 246728
2-Octanone
CID 8093
2-Decanone
CID 12741
2-Nonanone
CID 13187
2-Dodecanone
CID 22556
Cyclododecanone
CID 13246
5-Nonanone
CID 10405
3-Decanone
CID 13576
3-Nonanone
CID 61235
2-Tetradecanone
CID 75364

Frequently Asked Questions

What is the IUPAC name of nonadecan-10-one?
The IUPAC name of nonadecan-10-one (CID 10441) is nonadecan-10-one.
What is the SMILES notation for nonadecan-10-one?
The canonical SMILES for nonadecan-10-one is CCCCCCCCCC(=O)CCCCCCCCC.
What is the InChIKey of nonadecan-10-one?
The InChIKey is YUPOCHDBBHTUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3.
What are the key properties of nonadecan-10-one?
nonadecan-10-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-10-one is sourced from PubChem (CID 10441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).