(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal

C19H30O2Si — CID 10980092

IUPAC(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal
SMILESC[C@H](/C=C/c1ccccc1)[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30O2Si/c1-16(12-13-17-10-8-7-9-11-17)18(14-15-20)21-22(5,6)19(2,3)4/h7-13,15-16,18H,14H2,1-6H3/b13-12+/t16-,18+/m1/s1
InChIKeyQJNDYERJXLAFJC-JXPOREOESA-N
MW318.53 g/mol
LogP5.32
Rot. Bonds7

About (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal

(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal (PubChem CID 10980092) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal.

Molecular Properties

Compound Name(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal
PubChem CID10980092
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Name(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal
SMILESC[C@H](/C=C/c1ccccc1)[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30O2Si/c1-16(12-13-17-10-8-7-9-11-17)18(14-15-20)21-22(5,6)19(2,3)4/h7-13,15-16,18H,14H2,1-6H3/b13-12+/t16-,18+/m1/s1
InChIKeyQJNDYERJXLAFJC-JXPOREOESA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.53
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-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,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal?
The IUPAC name of (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal (CID 10980092) is (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal.
What is the SMILES notation for (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal?
The canonical SMILES for (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal is C[C@H](/C=C/c1ccccc1)[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal?
The InChIKey is QJNDYERJXLAFJC-JXPOREOESA-N. The full InChI is InChI=1S/C19H30O2Si/c1-16(12-13-17-10-8-7-9-11-17)18(14-15-20)21-22(5,6)19(2,3)4/h7-13,15-16,18H,14H2,1-6H3/b13-12+/t16-,18+/m1/s1.
What are the key properties of (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal?
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal has a molecular weight of 318.53 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal is sourced from PubChem (CID 10980092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).