nonadeca-1,3,5,7,10,12-hexaen-9-one

C19H26O — CID 90034448

IUPACnonadeca-1,3,5,7,10,12-hexaen-9-one
SMILESC=CC=CC=CC=CC(=O)C=CC=CCCCCCC
InChIInChI=1S/C19H26O/c1-3-5-7-9-11-12-14-16-18-19(20)17-15-13-10-8-6-4-2/h4,6,8,10,12-18H,2-3,5,7,9,11H2,1H3
InChIKeyRZQNTOQABIQNDW-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.49
Rot. Bonds11

About nonadeca-1,3,5,7,10,12-hexaen-9-one

nonadeca-1,3,5,7,10,12-hexaen-9-one (PubChem CID 90034448) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is nonadeca-1,3,5,7,10,12-hexaen-9-one.

Molecular Properties

Compound Namenonadeca-1,3,5,7,10,12-hexaen-9-one
PubChem CID90034448
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Namenonadeca-1,3,5,7,10,12-hexaen-9-one
SMILESC=CC=CC=CC=CC(=O)C=CC=CCCCCCC
InChIInChI=1S/C19H26O/c1-3-5-7-9-11-12-14-16-18-19(20)17-15-13-10-8-6-4-2/h4,6,8,10,12-18H,2-3,5,7,9,11H2,1H3
InChIKeyRZQNTOQABIQNDW-UHFFFAOYSA-N
XLogP5.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.49
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4E,6E,8E,10E)-octadeca-1,4,6,8,10-pentaen-3-one
CID 20847728
(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
CID 173020960
hecta-1,3,5,7,9,11,13,15,17,19-decaene
CID 173395996
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
tricosa-1,3,5,7-tetraene
CID 90704431
(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038
hexacosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91421045
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845
alumane;octadeca-1,3,5-triene;sulfuric acid
CID 175434507
pentadeca-3,5,7-trien-2-one
CID 91106763
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913

Frequently Asked Questions

What is the IUPAC name of nonadeca-1,3,5,7,10,12-hexaen-9-one?
The IUPAC name of nonadeca-1,3,5,7,10,12-hexaen-9-one (CID 90034448) is nonadeca-1,3,5,7,10,12-hexaen-9-one.
What is the SMILES notation for nonadeca-1,3,5,7,10,12-hexaen-9-one?
The canonical SMILES for nonadeca-1,3,5,7,10,12-hexaen-9-one is C=CC=CC=CC=CC(=O)C=CC=CCCCCCC.
What is the InChIKey of nonadeca-1,3,5,7,10,12-hexaen-9-one?
The InChIKey is RZQNTOQABIQNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-3-5-7-9-11-12-14-16-18-19(20)17-15-13-10-8-6-4-2/h4,6,8,10,12-18H,2-3,5,7,9,11H2,1H3.
What are the key properties of nonadeca-1,3,5,7,10,12-hexaen-9-one?
nonadeca-1,3,5,7,10,12-hexaen-9-one has a molecular weight of 270.42 g/mol, XLogP of 5.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadeca-1,3,5,7,10,12-hexaen-9-one is sourced from PubChem (CID 90034448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).