(2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one

C28H30OSi — CID 135078042

IUPAC(2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one
SMILESCCCC/C=C\C/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30OSi/c1-2-3-4-5-6-7-17-24-28(29)30(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h5-6,8-24H,2-4,7H2,1H3/b6-5-,24-17+
InChIKeyXPHTWAUNVLCQJB-AJWRTPOKSA-N
MW410.63 g/mol
LogP4.96
Rot. Bonds10

About (2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one

(2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one (PubChem CID 135078042) has the molecular formula C28H30OSi and a molecular weight of 410.63 g/mol. Its IUPAC name is (2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one.

Molecular Properties

Compound Name(2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one
PubChem CID135078042
Molecular FormulaC28H30OSi
Molecular Weight410.63 g/mol
Exact Mass410.21
IUPAC Name(2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one
SMILESCCCC/C=C\C/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30OSi/c1-2-3-4-5-6-7-17-24-28(29)30(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h5-6,8-24H,2-4,7H2,1H3/b6-5-,24-17+
InChIKeyXPHTWAUNVLCQJB-AJWRTPOKSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid
CID 131839761
[(Z)-hept-2-enyl]-dimethyl-phenylsilane
CID 15915975
trideca-5,8-dien-4-one
CID 172853119
dimethyl-[(3E)-octa-1,3-dien-2-yl]oxy-phenylsilane
CID 102299018
(5E,8E,11E)-hexadeca-5,8,11-trienoic acid
CID 5282810
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
[[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate
CID 156904919
(4E,7Z,10Z,13Z,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 122651983
(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoic acid
CID 14746867
(4E,7E,10E,13E,16Z)-docosa-4,7,10,13,16-pentaenoic acid
CID 122652087
(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 5282848
(4Z,7Z,10Z,13Z,16Z,19Z,22Z)-octacosa-4,7,10,13,16,19,22-heptaenoic acid
CID 14647893

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one?
The IUPAC name of (2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one (CID 135078042) is (2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one.
What is the SMILES notation for (2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one?
The canonical SMILES for (2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one is CCCC/C=C\C/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one?
The InChIKey is XPHTWAUNVLCQJB-AJWRTPOKSA-N. The full InChI is InChI=1S/C28H30OSi/c1-2-3-4-5-6-7-17-24-28(29)30(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h5-6,8-24H,2-4,7H2,1H3/b6-5-,24-17+.
What are the key properties of (2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one?
(2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one has a molecular weight of 410.63 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one is sourced from PubChem (CID 135078042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).