(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal

C18H36O4Si — CID 163238504

IUPAC(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal
SMILESC/C=C/[C@H](OCOC)C(C)(C)[C@H](CC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C18H36O4Si/c1-8-12-16(21-15-20-7)18(5,6)17(13-14-19)22-23(9-2,10-3)11-4/h8,12,14,16-17H,9-11,13,15H2,1-7H3/b12-8+/t16-,17-/m0/s1
InChIKeyGJBJVGCWPHCVSP-MVIRQZGPSA-N
MW344.57 g/mol
LogP4.56
Rot. Bonds13

About (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal

(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal (PubChem CID 163238504) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal.

Molecular Properties

Compound Name(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal
PubChem CID163238504
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal
SMILESC/C=C/[C@H](OCOC)C(C)(C)[C@H](CC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C18H36O4Si/c1-8-12-16(21-15-20-7)18(5,6)17(13-14-19)22-23(9-2,10-3)11-4/h8,12,14,16-17H,9-11,13,15H2,1-7H3/b12-8+/t16-,17-/m0/s1
InChIKeyGJBJVGCWPHCVSP-MVIRQZGPSA-N
XLogP4.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.56
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal?
The IUPAC name of (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal (CID 163238504) is (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal.
What is the SMILES notation for (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal?
The canonical SMILES for (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal is C/C=C/[C@H](OCOC)C(C)(C)[C@H](CC=O)O[Si](CC)(CC)CC.
What is the InChIKey of (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal?
The InChIKey is GJBJVGCWPHCVSP-MVIRQZGPSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-8-12-16(21-15-20-7)18(5,6)17(13-14-19)22-23(9-2,10-3)11-4/h8,12,14,16-17H,9-11,13,15H2,1-7H3/b12-8+/t16-,17-/m0/s1.
What are the key properties of (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal?
(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal has a molecular weight of 344.57 g/mol, XLogP of 4.56, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal is sourced from PubChem (CID 163238504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).