(E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal

C18H36O3Si — CID 25111169

IUPAC(E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal
SMILESCCC[C@@H](C[C@H](C/C(C)=C/C=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-9-10-16(21-22(7,8)18(3,4)5)14-17(20-6)13-15(2)11-12-19/h11-12,16-17H,9-10,13-14H2,1-8H3/b15-11+/t16-,17-/m0/s1
InChIKeyDCJDBJPOWJIGGO-JBAYFQIUSA-N
MW328.57 g/mol
LogP5.12
Rot. Bonds10

About (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal

(E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal (PubChem CID 25111169) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal.

Molecular Properties

Compound Name(E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal
PubChem CID25111169
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name(E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal
SMILESCCC[C@@H](C[C@H](C/C(C)=C/C=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-9-10-16(21-22(7,8)18(3,4)5)14-17(20-6)13-15(2)11-12-19/h11-12,16-17H,9-10,13-14H2,1-8H3/b15-11+/t16-,17-/m0/s1
InChIKeyDCJDBJPOWJIGGO-JBAYFQIUSA-N
XLogP5.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.12
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal?
The IUPAC name of (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal (CID 25111169) is (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal.
What is the SMILES notation for (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal?
The canonical SMILES for (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal is CCC[C@@H](C[C@H](C/C(C)=C/C=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal?
The InChIKey is DCJDBJPOWJIGGO-JBAYFQIUSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-9-10-16(21-22(7,8)18(3,4)5)14-17(20-6)13-15(2)11-12-19/h11-12,16-17H,9-10,13-14H2,1-8H3/b15-11+/t16-,17-/m0/s1.
What are the key properties of (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal?
(E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal has a molecular weight of 328.57 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methyldec-2-enal is sourced from PubChem (CID 25111169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).