(8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal

C20H36O3Si — CID 134973762

IUPAC(8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal
SMILESC/C=C/C=C/C(CC(=O)C(C)CC(C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O3Si/c1-9-10-11-12-18(23-24(7,8)20(4,5)6)14-19(22)17(3)13-16(2)15-21/h9-12,15-18H,13-14H2,1-8H3/b10-9+,12-11+
InChIKeyMXGDGEGRBSBTBP-HULFFUFUSA-N
MW352.59 g/mol
LogP5.33
Rot. Bonds10

About (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal

(8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal (PubChem CID 134973762) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal.

Molecular Properties

Compound Name(8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal
PubChem CID134973762
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name(8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal
SMILESC/C=C/C=C/C(CC(=O)C(C)CC(C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O3Si/c1-9-10-11-12-18(23-24(7,8)20(4,5)6)14-19(22)17(3)13-16(2)15-21/h9-12,15-18H,13-14H2,1-8H3/b10-9+,12-11+
InChIKeyMXGDGEGRBSBTBP-HULFFUFUSA-N
XLogP5.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,2S,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enal
CID 10250059
2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde
CID 16742608
(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one
CID 134865994
(2S,3S,4S,6E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-6,8-dienal
CID 135013444
(2S)-2-[(1E,3E,5R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-8,12-dimethyltrideca-1,3,11-trienyl]-2-methylcyclohexan-1-one
CID 15392183
(2S)-2-[(1E,3E,5S,8S)-5-[tert-butyl(dimethyl)silyl]oxy-8,12-dimethyltrideca-1,3,11-trienyl]-2-methylcyclohexan-1-one
CID 59870934
(2S)-2-[(5R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-8,12-dimethyltrideca-1,3,11-trienyl]-2-methylcyclohexan-1-one
CID 91235240
(2S)-2-[(5S,8S)-5-[tert-butyl(dimethyl)silyl]oxy-8,12-dimethyltrideca-1,3,11-trienyl]-2-methylcyclohexan-1-one
CID 91353660
(2R,3R,4S,6S,9R,10S,11R,12S,13Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6,9,10,12-hexamethyl-11-trimethylsilyloxyhexadeca-13,15-dienal
CID 161304775
(1E,5S,6S,7E,9Z)-2,6-dimethyl-13-oxo-5-tri(propan-2-yl)silyloxycyclopentadeca-1,7,9-triene-1-carbaldehyde
CID 10813295
(1E,5S,6S,7E,9E)-2,6-dimethyl-13-oxo-5-tri(propan-2-yl)silyloxycyclopentadeca-1,7,9-triene-1-carbaldehyde
CID 10837120
(3S,4S,7S,9R,12E)-11-[tert-butyl(dimethyl)silyl]oxy-13-ethyl-3,7,9-trimethyl-4-triethylsilyloxypentadeca-12,14-dien-2-one
CID 10995240

Frequently Asked Questions

What is the IUPAC name of (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal?
The IUPAC name of (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal (CID 134973762) is (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal.
What is the SMILES notation for (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal?
The canonical SMILES for (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal is C/C=C/C=C/C(CC(=O)C(C)CC(C)C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal?
The InChIKey is MXGDGEGRBSBTBP-HULFFUFUSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-9-10-11-12-18(23-24(7,8)20(4,5)6)14-19(22)17(3)13-16(2)15-21/h9-12,15-18H,13-14H2,1-8H3/b10-9+,12-11+.
What are the key properties of (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal?
(8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal has a molecular weight of 352.59 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal is sourced from PubChem (CID 134973762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).