(2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal

C33H54O4Si2 — CID 23248213

IUPAC(2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal
SMILESCO[C@H]([C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C33H54O4Si2/c1-25(23-34)30(35-10)27(3)31(37-38(11,12)32(4,5)6)26(2)24-36-39(33(7,8)9,28-19-15-13-16-20-28)29-21-17-14-18-22-29/h13-23,25-27,30-31H,24H2,1-12H3/t25-,26-,27-,30-,31-/m0/s1
InChIKeyQSWSNUSLUOWGPN-YETVUXLRSA-N
MW570.96 g/mol
LogP7.08
Rot. Bonds13

About (2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal

(2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal (PubChem CID 23248213) has the molecular formula C33H54O4Si2 and a molecular weight of 570.96 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal
PubChem CID23248213
Molecular FormulaC33H54O4Si2
Molecular Weight570.96 g/mol
Exact Mass570.36
IUPAC Name(2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal
SMILESCO[C@H]([C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C33H54O4Si2/c1-25(23-34)30(35-10)27(3)31(37-38(11,12)32(4,5)6)26(2)24-36-39(33(7,8)9,28-19-15-13-16-20-28)29-21-17-14-18-22-29/h13-23,25-27,30-31H,24H2,1-12H3/t25-,26-,27-,30-,31-/m0/s1
InChIKeyQSWSNUSLUOWGPN-YETVUXLRSA-N
XLogP7.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.96
LogP ≤ 57.08
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'}

Analyze (2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal 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 (2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal?
The IUPAC name of (2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal (CID 23248213) is (2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal.
What is the SMILES notation for (2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal?
The canonical SMILES for (2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal is CO[C@H]([C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C=O.
What is the InChIKey of (2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal?
The InChIKey is QSWSNUSLUOWGPN-YETVUXLRSA-N. The full InChI is InChI=1S/C33H54O4Si2/c1-25(23-34)30(35-10)27(3)31(37-38(11,12)32(4,5)6)26(2)24-36-39(33(7,8)9,28-19-15-13-16-20-28)29-21-17-14-18-22-29/h13-23,25-27,30-31H,24H2,1-12H3/t25-,26-,27-,30-,31-/m0/s1.
What are the key properties of (2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal?
(2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal has a molecular weight of 570.96 g/mol, XLogP of 7.08, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-2,4,6-trimethylheptanal is sourced from PubChem (CID 23248213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).