nonadeca-2,12-dien-4-one

C19H34O — CID 151605854

IUPACnonadeca-2,12-dien-4-one
SMILESCC=CC(=O)CCCCCCCC=CCCCCCC
InChIInChI=1S/C19H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-19(20)17-4-2/h4,9-10,17H,3,5-8,11-16,18H2,1-2H3
InChIKeyQLLKADYWUSBVHR-UHFFFAOYSA-N
MW278.48 g/mol
LogP6.39
Rot. Bonds14

About nonadeca-2,12-dien-4-one

nonadeca-2,12-dien-4-one (PubChem CID 151605854) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is nonadeca-2,12-dien-4-one.

Molecular Properties

Compound Namenonadeca-2,12-dien-4-one
PubChem CID151605854
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Namenonadeca-2,12-dien-4-one
SMILESCC=CC(=O)CCCCCCCC=CCCCCCC
InChIInChI=1S/C19H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-19(20)17-4-2/h4,9-10,17H,3,5-8,11-16,18H2,1-2H3
InChIKeyQLLKADYWUSBVHR-UHFFFAOYSA-N
XLogP6.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
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(E)-henicos-9-en-11-one
CID 6366356
(Z)-hexadec-9-en-8-one
CID 134907163
henicos-9-en-11-one
CID 3023243
(E)-icos-11-en-10-one
CID 101359358
but-2-enoic acid;(Z)-hexadec-5-ene
CID 175450029
(E)-triacont-15-ene-8,23-dione
CID 11849500
(Z)-dodec-2-ene;propan-2-one
CID 175013676
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
octadeca-2,10-diene
CID 54270716

Frequently Asked Questions

What is the IUPAC name of nonadeca-2,12-dien-4-one?
The IUPAC name of nonadeca-2,12-dien-4-one (CID 151605854) is nonadeca-2,12-dien-4-one.
What is the SMILES notation for nonadeca-2,12-dien-4-one?
The canonical SMILES for nonadeca-2,12-dien-4-one is CC=CC(=O)CCCCCCCC=CCCCCCC.
What is the InChIKey of nonadeca-2,12-dien-4-one?
The InChIKey is QLLKADYWUSBVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-19(20)17-4-2/h4,9-10,17H,3,5-8,11-16,18H2,1-2H3.
What are the key properties of nonadeca-2,12-dien-4-one?
nonadeca-2,12-dien-4-one has a molecular weight of 278.48 g/mol, XLogP of 6.39, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadeca-2,12-dien-4-one is sourced from PubChem (CID 151605854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).