(E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal

C20H42O3Si2 — CID 71725889

IUPAC(E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal
SMILESCC[Si](CC)(CC)O[C@H](C)[C@@H](C)/C=C(\C)[C@H](O[Si](C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C20H42O3Si2/c1-11-25(12-2,13-3)22-19(7)16(4)14-17(5)20(18(6)15-21)23-24(8,9)10/h14-16,18-20H,11-13H2,1-10H3/b17-14+/t16-,18-,19+,20-/m0/s1
InChIKeyDMAXQPPIWSKLOR-KNGAEFBGSA-N
MW386.73 g/mol
LogP6.03
Rot. Bonds12

About (E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal

(E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal (PubChem CID 71725889) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is (E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal.

Molecular Properties

Compound Name(E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal
PubChem CID71725889
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Name(E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal
SMILESCC[Si](CC)(CC)O[C@H](C)[C@@H](C)/C=C(\C)[C@H](O[Si](C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C20H42O3Si2/c1-11-25(12-2,13-3)22-19(7)16(4)14-17(5)20(18(6)15-21)23-24(8,9)10/h14-16,18-20H,11-13H2,1-10H3/b17-14+/t16-,18-,19+,20-/m0/s1
InChIKeyDMAXQPPIWSKLOR-KNGAEFBGSA-N
XLogP6.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 56.03
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal?
The IUPAC name of (E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal (CID 71725889) is (E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal.
What is the SMILES notation for (E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal?
The canonical SMILES for (E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal is CC[Si](CC)(CC)O[C@H](C)[C@@H](C)/C=C(\C)[C@H](O[Si](C)(C)C)[C@@H](C)C=O.
What is the InChIKey of (E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal?
The InChIKey is DMAXQPPIWSKLOR-KNGAEFBGSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-11-25(12-2,13-3)22-19(7)16(4)14-17(5)20(18(6)15-21)23-24(8,9)10/h14-16,18-20H,11-13H2,1-10H3/b17-14+/t16-,18-,19+,20-/m0/s1.
What are the key properties of (E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal?
(E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal has a molecular weight of 386.73 g/mol, XLogP of 6.03, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal is sourced from PubChem (CID 71725889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).