(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal

C23H32O2Si — CID 11773055

IUPAC(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal
SMILESC[C@@H](CCC=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-20(12-11-18-24)17-19-25-26(23(2,3)4,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,18,20H,11-12,17,19H2,1-4H3/t20-/m0/s1
InChIKeyYVQKARDXFWZSOL-FQEVSTJZSA-N
MW368.59 g/mol
LogP4.57
Rot. Bonds9

About (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal

(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal (PubChem CID 11773055) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal.

Molecular Properties

Compound Name(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal
PubChem CID11773055
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal
SMILESC[C@@H](CCC=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-20(12-11-18-24)17-19-25-26(23(2,3)4,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,18,20H,11-12,17,19H2,1-4H3/t20-/m0/s1
InChIKeyYVQKARDXFWZSOL-FQEVSTJZSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.57
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 (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal 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 (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal?
The IUPAC name of (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal (CID 11773055) is (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal.
What is the SMILES notation for (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal?
The canonical SMILES for (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal is C[C@@H](CCC=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal?
The InChIKey is YVQKARDXFWZSOL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-20(12-11-18-24)17-19-25-26(23(2,3)4,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,18,20H,11-12,17,19H2,1-4H3/t20-/m0/s1.
What are the key properties of (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal?
(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal has a molecular weight of 368.59 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal is sourced from PubChem (CID 11773055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).