nonadec-1-en-3-one

C19H36O — CID 3326465

IUPACnonadec-1-en-3-one
SMILESC=CC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C19H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)4-2/h4H,2-3,5-18H2,1H3
InChIKeyIBRGPZKSIDNEFH-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.61
Rot. Bonds16

About nonadec-1-en-3-one

nonadec-1-en-3-one (PubChem CID 3326465) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is nonadec-1-en-3-one.

Molecular Properties

Compound Namenonadec-1-en-3-one
PubChem CID3326465
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Namenonadec-1-en-3-one
SMILESC=CC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C19H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)4-2/h4H,2-3,5-18H2,1H3
InChIKeyIBRGPZKSIDNEFH-UHFFFAOYSA-N
XLogP6.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tritriacont-1-en-3-one
CID 153436316
dodecyl-dimethyl-(4-oxohex-5-enyl)azanium bromide
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(E)-non-2-enal;oct-1-en-3-one
CID 140527205
11-oxotridec-12-enoic acid
CID 3032036
N-ethenyldodecanamide
CID 21219286
heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
undeca-1,10-dien-3-one
CID 152625957
deca-1,9-dien-3-one
CID 21443589
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
9-trimethylsilylnon-1-en-3-one
CID 172735839
27-(dimethylamino)heptacos-1-en-3-one
CID 139647791

Frequently Asked Questions

What is the IUPAC name of nonadec-1-en-3-one?
The IUPAC name of nonadec-1-en-3-one (CID 3326465) is nonadec-1-en-3-one.
What is the SMILES notation for nonadec-1-en-3-one?
The canonical SMILES for nonadec-1-en-3-one is C=CC(=O)CCCCCCCCCCCCCCCC.
What is the InChIKey of nonadec-1-en-3-one?
The InChIKey is IBRGPZKSIDNEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)4-2/h4H,2-3,5-18H2,1H3.
What are the key properties of nonadec-1-en-3-one?
nonadec-1-en-3-one has a molecular weight of 280.50 g/mol, XLogP of 6.61, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadec-1-en-3-one is sourced from PubChem (CID 3326465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).