(9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one

C23H38O — CID 139632164

IUPAC(9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one
SMILESCCC(=O)CC=C(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C23H38O/c1-7-23(24)18-17-22(6)16-10-15-21(5)14-9-13-20(4)12-8-11-19(2)3/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17?
InChIKeyUDVIZDXQGYYGPV-AJDZVAQLSA-N
MW330.56 g/mol
LogP7.50
Rot. Bonds12

About (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one

(9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one (PubChem CID 139632164) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one.

Molecular Properties

Compound Name(9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one
PubChem CID139632164
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Name(9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one
SMILESCCC(=O)CC=C(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C23H38O/c1-7-23(24)18-17-22(6)16-10-15-21(5)14-9-13-20(4)12-8-11-19(2)3/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17?
InChIKeyUDVIZDXQGYYGPV-AJDZVAQLSA-N
XLogP7.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(E)-7-methylnon-6-en-3-one
CID 22749805
methane;(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-2,3-dione;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-triene-2,3-dione
CID 159214024
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
CID 11491628
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
2,2,6,10-tetramethylundeca-5,9-dien-3-one
CID 71393329

Frequently Asked Questions

What is the IUPAC name of (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one?
The IUPAC name of (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one (CID 139632164) is (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one.
What is the SMILES notation for (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one?
The canonical SMILES for (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one is CCC(=O)CC=C(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one?
The InChIKey is UDVIZDXQGYYGPV-AJDZVAQLSA-N. The full InChI is InChI=1S/C23H38O/c1-7-23(24)18-17-22(6)16-10-15-21(5)14-9-13-20(4)12-8-11-19(2)3/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17?.
What are the key properties of (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one?
(9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one has a molecular weight of 330.56 g/mol, XLogP of 7.50, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one is sourced from PubChem (CID 139632164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).