10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one

C22H34O2 — CID 74028311

IUPAC10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
SMILESC=CC(C)=CC=CC(C)(CCC=C(C)CC(=O)C=C(C)C)OCC
InChIInChI=1S/C22H34O2/c1-8-19(5)12-10-14-22(7,24-9-2)15-11-13-20(6)17-21(23)16-18(3)4/h8,10,12-14,16H,1,9,11,15,17H2,2-7H3
InChIKeyAZJSAFAWMUUZHG-UHFFFAOYSA-N
MW330.51 g/mol
LogP6.12
Rot. Bonds11

About 10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one

10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one (PubChem CID 74028311) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is 10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one.

Molecular Properties

Compound Name10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
PubChem CID74028311
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
SMILESC=CC(C)=CC=CC(C)(CCC=C(C)CC(=O)C=C(C)C)OCC
InChIInChI=1S/C22H34O2/c1-8-19(5)12-10-14-22(7,24-9-2)15-11-13-20(6)17-21(23)16-18(3)4/h8,10,12-14,16H,1,9,11,15,17H2,2-7H3
InChIKeyAZJSAFAWMUUZHG-UHFFFAOYSA-N
XLogP6.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,6E,9E,11R)-11-methoxy-3,7,11,15-tetramethylhexadeca-2,6,9,14-tetraenyl]-6-methylcyclohexa-2,5-diene-1,4-dione
CID 162968731
(6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
CID 162991962
(6E,10R,11E,13E)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
CID 162991963
(3E,5E,7R,10E)-7-ethoxy-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
CID 163002078
(3Z,5E,7S,10E)-7-ethoxy-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
CID 163002080
[(4R,6R,7E,9Z)-6-methoxy-2,6,10-trimethyldodeca-2,7,9,11-tetraen-4-yl] (Z)-2-methylbut-2-enoate
CID 163020516
(6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19-pentamethyl-23-[5-methyl-5-(4-methylpent-3-enyl)-2H-furan-2-yl]tetracosa-2,6,8,10,12,14,16,18,20,22-decaen-4-one
CID 57614690
2,6,10,14,19-pentamethyl-23-[5-methyl-5-(4-methylpent-3-enyl)-2H-furan-2-yl]tetracosa-2,6,8,10,12,14,16,18,20,22-decaen-4-one
CID 76625912
ethyl (5E)-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,10-dimethyl-3-pent-1-enylundeca-2,5,9-trienoate
CID 87405098
(5E,7E,9E,11E,13E,15E)-17-ethoxy-5,9,14,16-tetramethyloctadeca-5,7,9,11,13,15,17-heptaen-4-one
CID 89330333
(5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one
CID 89330334
1-[2,6-Dimethyl-6-(4-methylpent-3-enyl)pyran-3-yl]ethanone
CID 89852623

Frequently Asked Questions

What is the IUPAC name of 10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one?
The IUPAC name of 10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one (CID 74028311) is 10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one.
What is the SMILES notation for 10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one?
The canonical SMILES for 10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one is C=CC(C)=CC=CC(C)(CCC=C(C)CC(=O)C=C(C)C)OCC.
What is the InChIKey of 10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one?
The InChIKey is AZJSAFAWMUUZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O2/c1-8-19(5)12-10-14-22(7,24-9-2)15-11-13-20(6)17-21(23)16-18(3)4/h8,10,12-14,16H,1,9,11,15,17H2,2-7H3.
What are the key properties of 10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one?
10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one has a molecular weight of 330.51 g/mol, XLogP of 6.12, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one is sourced from PubChem (CID 74028311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).