(2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial

C18H36O5Si — CID 10089944

IUPAC(2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@H](OCOC)[C@H](C)C=O)[C@H](C)C=O
InChIInChI=1S/C18H36O5Si/c1-8-24(9-2,10-3)23-18(15(5)12-20)16(6)17(14(4)11-19)22-13-21-7/h11-12,14-18H,8-10,13H2,1-7H3/t14-,15-,16+,17-,18-/m1/s1
InChIKeyCOBCWFPHGKWPPL-UYTYNIKBSA-N
MW360.57 g/mol
LogP3.67
Rot. Bonds14

About (2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial

(2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial (PubChem CID 10089944) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is (2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial.

Molecular Properties

Compound Name(2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial
PubChem CID10089944
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name(2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@H](OCOC)[C@H](C)C=O)[C@H](C)C=O
InChIInChI=1S/C18H36O5Si/c1-8-24(9-2,10-3)23-18(15(5)12-20)16(6)17(14(4)11-19)22-13-21-7/h11-12,14-18H,8-10,13H2,1-7H3/t14-,15-,16+,17-,18-/m1/s1
InChIKeyCOBCWFPHGKWPPL-UYTYNIKBSA-N
XLogP3.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial?
The IUPAC name of (2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial (CID 10089944) is (2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial.
What is the SMILES notation for (2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial?
The canonical SMILES for (2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial is CC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@H](OCOC)[C@H](C)C=O)[C@H](C)C=O.
What is the InChIKey of (2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial?
The InChIKey is COBCWFPHGKWPPL-UYTYNIKBSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-8-24(9-2,10-3)23-18(15(5)12-20)16(6)17(14(4)11-19)22-13-21-7/h11-12,14-18H,8-10,13H2,1-7H3/t14-,15-,16+,17-,18-/m1/s1.
What are the key properties of (2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial?
(2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial has a molecular weight of 360.57 g/mol, XLogP of 3.67, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial is sourced from PubChem (CID 10089944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).