1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one

C24H40O2 — CID 78164116

IUPAC1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one
SMILESCOCC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C24H40O2/c1-20(2)11-7-12-21(3)13-8-14-22(4)15-9-16-23(5)17-10-18-24(25)19-26-6/h11,13,15,17H,7-10,12,14,16,18-19H2,1-6H3
InChIKeyFTLWQLTVDDXMIA-UHFFFAOYSA-N
MW360.58 g/mol
LogP7.13
Rot. Bonds14

About 1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one

1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one (PubChem CID 78164116) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one.

Molecular Properties

Compound Name1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one
PubChem CID78164116
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one
SMILESCOCC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C24H40O2/c1-20(2)11-7-12-21(3)13-8-14-22(4)15-9-16-23(5)17-10-18-24(25)19-26-6/h11,13,15,17H,7-10,12,14,16,18-19H2,1-6H3
InChIKeyFTLWQLTVDDXMIA-UHFFFAOYSA-N
XLogP7.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one with MolForge

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Related Compounds

(E)-1,1-Dimethoxy-6,10-dimethyl-5,9-undecadien-2-one
CID 11139695
Ethyl-2-oxo-6-methyl-5-heptenoate
CID 11458088
Epoxygeranylacetone
CID 129652459
(E)-6,10-dimethyl-2-oxo-5,9-undecadien-1-ol acetate
CID 13291921
(5E,9E)-1,1-dimethoxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 23466447
1,1-Dimethoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 53737312
1,1-Dimethoxy-6,10,14-trimethyl-5,9,13-pentadecatrien-2-one
CID 53946054
(6,10-Dimethyl-2-oxoundeca-5,9-dienyl) acetate
CID 54426011
(5E,9E,13E)-1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one
CID 71735599
(Z,E)-1,1-Dimethoxy-6,10,14-trimethyl-5,9,13-pentadecatrien-2-one
CID 86735220
3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]pentan-2-one
CID 87765279
3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]pentan-2-one
CID 87765280

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one?
The IUPAC name of 1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one (CID 78164116) is 1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one.
What is the SMILES notation for 1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one?
The canonical SMILES for 1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one is COCC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one?
The InChIKey is FTLWQLTVDDXMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-20(2)11-7-12-21(3)13-8-14-22(4)15-9-16-23(5)17-10-18-24(25)19-26-6/h11,13,15,17H,7-10,12,14,16,18-19H2,1-6H3.
What are the key properties of 1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one?
1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one has a molecular weight of 360.58 g/mol, XLogP of 7.13, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one is sourced from PubChem (CID 78164116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).