(3R)-3-triethylsilyloxyoct-7-enal

C14H28O2Si — CID 59644075

IUPAC(3R)-3-triethylsilyloxyoct-7-enal
SMILESC=CCCC[C@H](CC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C14H28O2Si/c1-5-9-10-11-14(12-13-15)16-17(6-2,7-3)8-4/h5,13-14H,1,6-12H2,2-4H3/t14-/m1/s1
InChIKeyDYMCCZVXFMFEGU-CQSZACIVSA-N
MW256.46 g/mol
LogP4.32
Rot. Bonds11

About (3R)-3-triethylsilyloxyoct-7-enal

(3R)-3-triethylsilyloxyoct-7-enal (PubChem CID 59644075) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (3R)-3-triethylsilyloxyoct-7-enal.

Molecular Properties

Compound Name(3R)-3-triethylsilyloxyoct-7-enal
PubChem CID59644075
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(3R)-3-triethylsilyloxyoct-7-enal
SMILESC=CCCC[C@H](CC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C14H28O2Si/c1-5-9-10-11-14(12-13-15)16-17(6-2,7-3)8-4/h5,13-14H,1,6-12H2,2-4H3/t14-/m1/s1
InChIKeyDYMCCZVXFMFEGU-CQSZACIVSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 (3R)-3-triethylsilyloxyoct-7-enal?
The IUPAC name of (3R)-3-triethylsilyloxyoct-7-enal (CID 59644075) is (3R)-3-triethylsilyloxyoct-7-enal.
What is the SMILES notation for (3R)-3-triethylsilyloxyoct-7-enal?
The canonical SMILES for (3R)-3-triethylsilyloxyoct-7-enal is C=CCCC[C@H](CC=O)O[Si](CC)(CC)CC.
What is the InChIKey of (3R)-3-triethylsilyloxyoct-7-enal?
The InChIKey is DYMCCZVXFMFEGU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-5-9-10-11-14(12-13-15)16-17(6-2,7-3)8-4/h5,13-14H,1,6-12H2,2-4H3/t14-/m1/s1.
What are the key properties of (3R)-3-triethylsilyloxyoct-7-enal?
(3R)-3-triethylsilyloxyoct-7-enal has a molecular weight of 256.46 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-triethylsilyloxyoct-7-enal is sourced from PubChem (CID 59644075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).