(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal

C16H34O4Si — CID 10519630

IUPAC(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal
SMILESCOCO[C@H]([C@H](C)CC=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si/c1-13(9-10-17)15(19-12-18-6)14(2)11-20-21(7,8)16(3,4)5/h10,13-15H,9,11-12H2,1-8H3/t13-,14+,15-/m1/s1
InChIKeyZJZIRQCKWSFIAK-QLFBSQMISA-N
MW318.53 g/mol
LogP3.86
Rot. Bonds10

About (3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal

(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal (PubChem CID 10519630) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal.

Molecular Properties

Compound Name(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal
PubChem CID10519630
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Name(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal
SMILESCOCO[C@H]([C@H](C)CC=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si/c1-13(9-10-17)15(19-12-18-6)14(2)11-20-21(7,8)16(3,4)5/h10,13-15H,9,11-12H2,1-8H3/t13-,14+,15-/m1/s1
InChIKeyZJZIRQCKWSFIAK-QLFBSQMISA-N
XLogP3.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal 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

(2S,5R)-7-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-trimethylsilylethoxymethoxy)heptanal
CID 14603948
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal
CID 134970267
(2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial
CID 10089944
(4R,5R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-4,6-dimethylheptanal
CID 10592730
3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal
CID 10892462
(3S,4R,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal
CID 10992749
[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate
CID 11078855
(4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-4,6-dimethylheptanal
CID 11174969
(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanal
CID 11417487
(3S,4S,5R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexanal
CID 11728831
(2R,4R,6R)-4-(methoxymethoxy)-2,6-dimethyl-7-tri(propan-2-yl)silyloxyheptanal
CID 44520613
(3S,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexanal
CID 57379990

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal?
The IUPAC name of (3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal (CID 10519630) is (3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal.
What is the SMILES notation for (3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal?
The canonical SMILES for (3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal is COCO[C@H]([C@H](C)CC=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal?
The InChIKey is ZJZIRQCKWSFIAK-QLFBSQMISA-N. The full InChI is InChI=1S/C16H34O4Si/c1-13(9-10-17)15(19-12-18-6)14(2)11-20-21(7,8)16(3,4)5/h10,13-15H,9,11-12H2,1-8H3/t13-,14+,15-/m1/s1.
What are the key properties of (3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal?
(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal has a molecular weight of 318.53 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal is sourced from PubChem (CID 10519630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).