(2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal

C22H48O3Si2 — CID 46872553

IUPAC(2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal
SMILESCC[Si](CC)(CC)OC[C@H](C)C[C@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C=O
InChIInChI=1S/C22H48O3Si2/c1-10-26(11-2,12-3)24-18-19(7)16-20(8)22(21(9)17-23)25-27(13-4,14-5)15-6/h17,19-22H,10-16,18H2,1-9H3/t19-,20+,21+,22-/m1/s1
InChIKeyZLBNWSQSFVYCSP-CLAROIROSA-N
MW416.80 g/mol
LogP6.90
Rot. Bonds16

About (2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal

(2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal (PubChem CID 46872553) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is (2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal.

Molecular Properties

Compound Name(2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal
PubChem CID46872553
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Name(2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal
SMILESCC[Si](CC)(CC)OC[C@H](C)C[C@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C=O
InChIInChI=1S/C22H48O3Si2/c1-10-26(11-2,12-3)24-18-19(7)16-20(8)22(21(9)17-23)25-27(13-4,14-5)15-6/h17,19-22H,10-16,18H2,1-9H3/t19-,20+,21+,22-/m1/s1
InChIKeyZLBNWSQSFVYCSP-CLAROIROSA-N
XLogP6.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S,6S,7R,10S)-6,10,12-tris[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,9-tetramethyl-8-oxododecanal
CID 11354231
(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal
CID 25257955
(3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4-methyl-3-triethylsilyloxyheptanal
CID 54577935
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal
CID 56591109
(3S,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,6-dimethylheptanal
CID 101579951
(2S,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134930905
(2R,3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-trimethylsilyloxyoctanal
CID 134930906
(2S,3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-trimethylsilyloxyoctanal
CID 134931168
(2R,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134931618
(3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal
CID 135027413
(3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal
CID 138980516
(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal
CID 138981465

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal?
The IUPAC name of (2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal (CID 46872553) is (2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal.
What is the SMILES notation for (2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal?
The canonical SMILES for (2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal is CC[Si](CC)(CC)OC[C@H](C)C[C@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C=O.
What is the InChIKey of (2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal?
The InChIKey is ZLBNWSQSFVYCSP-CLAROIROSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-10-26(11-2,12-3)24-18-19(7)16-20(8)22(21(9)17-23)25-27(13-4,14-5)15-6/h17,19-22H,10-16,18H2,1-9H3/t19-,20+,21+,22-/m1/s1.
What are the key properties of (2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal?
(2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal has a molecular weight of 416.80 g/mol, XLogP of 6.90, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,6R)-2,4,6-trimethyl-3,7-bis(triethylsilyloxy)heptanal is sourced from PubChem (CID 46872553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).