(2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal

C26H58O4Si3 — CID 11785689

IUPAC(2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal
SMILESC[C@H](C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H58O4Si3/c1-20(18-21(2)28-31(12,13)24(3,4)5)23(30-33(16,17)26(9,10)11)22(19-27)29-32(14,15)25(6,7)8/h19-23H,18H2,1-17H3/t20-,21-,22+,23+/m1/s1
InChIKeyDNTVVSHSIUJGCQ-LUKWVAJMSA-N
MW519.00 g/mol
LogP8.40
Rot. Bonds11

About (2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal

(2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal (PubChem CID 11785689) has the molecular formula C26H58O4Si3 and a molecular weight of 519.00 g/mol. Its IUPAC name is (2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal.

Molecular Properties

Compound Name(2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal
PubChem CID11785689
Molecular FormulaC26H58O4Si3
Molecular Weight519.00 g/mol
Exact Mass518.36
IUPAC Name(2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal
SMILESC[C@H](C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H58O4Si3/c1-20(18-21(2)28-31(12,13)24(3,4)5)23(30-33(16,17)26(9,10)11)22(19-27)29-32(14,15)25(6,7)8/h19-23H,18H2,1-17H3/t20-,21-,22+,23+/m1/s1
InChIKeyDNTVVSHSIUJGCQ-LUKWVAJMSA-N
XLogP8.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.00
LogP ≤ 58.40
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,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal 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

(3R,4S,5R,7S)-5-methyl-3,4-bis(triethylsilyloxy)-7-trimethylsilyloxyoctan-2-one
CID 24898007
(3R,4S,5R,7R)-3,4,7,8-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloctan-2-one
CID 53483885
(3R,4R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylheptanal
CID 54577485
(3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4-methyl-3-triethylsilyloxyheptanal
CID 54577935
(3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal
CID 135027413
(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal
CID 138981465
(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal
CID 10644709
(3R,4S,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one
CID 10770125
(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal
CID 10834870
(3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one
CID 10908261
(2R,3S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylheptanal
CID 11211818
(2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal
CID 11272575

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal?
The IUPAC name of (2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal (CID 11785689) is (2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal.
What is the SMILES notation for (2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal?
The canonical SMILES for (2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal is C[C@H](C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal?
The InChIKey is DNTVVSHSIUJGCQ-LUKWVAJMSA-N. The full InChI is InChI=1S/C26H58O4Si3/c1-20(18-21(2)28-31(12,13)24(3,4)5)23(30-33(16,17)26(9,10)11)22(19-27)29-32(14,15)25(6,7)8/h19-23H,18H2,1-17H3/t20-,21-,22+,23+/m1/s1.
What are the key properties of (2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal?
(2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal has a molecular weight of 519.00 g/mol, XLogP of 8.40, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal is sourced from PubChem (CID 11785689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).