nonadec-18-yn-8-one

C19H34O — CID 142782006

IUPACnonadec-18-yn-8-one
SMILESC#CCCCCCCCCCC(=O)CCCCCCC
InChIInChI=1S/C19H34O/c1-3-5-7-9-10-11-12-14-16-18-19(20)17-15-13-8-6-4-2/h1H,4-18H2,2H3
InChIKeyQGPYWGSGWAIISQ-UHFFFAOYSA-N
MW278.48 g/mol
LogP6.06
Rot. Bonds15

About nonadec-18-yn-8-one

nonadec-18-yn-8-one (PubChem CID 142782006) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is nonadec-18-yn-8-one.

Molecular Properties

Compound Namenonadec-18-yn-8-one
PubChem CID142782006
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Namenonadec-18-yn-8-one
SMILESC#CCCCCCCCCCC(=O)CCCCCCC
InChIInChI=1S/C19H34O/c1-3-5-7-9-10-11-12-14-16-18-19(20)17-15-13-8-6-4-2/h1H,4-18H2,2H3
InChIKeyQGPYWGSGWAIISQ-UHFFFAOYSA-N
XLogP6.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexadec-1-yn-4-one
CID 170548739
dodec-1-yn-4-one
CID 114961959
pentacosane-7,19-dione
CID 139254510
oct-1-yne
CID 19597608
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonatriacontane-8,29-dione
CID 150237018
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
dodecan-5-one
CID 29771
1-bromooct-7-yn-2-one
CID 46180063

Frequently Asked Questions

What is the IUPAC name of nonadec-18-yn-8-one?
The IUPAC name of nonadec-18-yn-8-one (CID 142782006) is nonadec-18-yn-8-one.
What is the SMILES notation for nonadec-18-yn-8-one?
The canonical SMILES for nonadec-18-yn-8-one is C#CCCCCCCCCCC(=O)CCCCCCC.
What is the InChIKey of nonadec-18-yn-8-one?
The InChIKey is QGPYWGSGWAIISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-5-7-9-10-11-12-14-16-18-19(20)17-15-13-8-6-4-2/h1H,4-18H2,2H3.
What are the key properties of nonadec-18-yn-8-one?
nonadec-18-yn-8-one has a molecular weight of 278.48 g/mol, XLogP of 6.06, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadec-18-yn-8-one is sourced from PubChem (CID 142782006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).