(3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal

C15H30O2Si — CID 25215309

IUPAC(3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal
SMILESC=C[C@@H](C)CC[C@H](CC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C15H30O2Si/c1-6-14(5)10-11-15(12-13-16)17-18(7-2,8-3)9-4/h6,13-15H,1,7-12H2,2-5H3/t14-,15-/m1/s1
InChIKeyQBSSHFKRYMSITI-HUUCEWRRSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds11

About (3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal

(3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal (PubChem CID 25215309) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal.

Molecular Properties

Compound Name(3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal
PubChem CID25215309
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal
SMILESC=C[C@@H](C)CC[C@H](CC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C15H30O2Si/c1-6-14(5)10-11-15(12-13-16)17-18(7-2,8-3)9-4/h6,13-15H,1,7-12H2,2-5H3/t14-,15-/m1/s1
InChIKeyQBSSHFKRYMSITI-HUUCEWRRSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal?
The IUPAC name of (3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal (CID 25215309) is (3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal.
What is the SMILES notation for (3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal?
The canonical SMILES for (3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal is C=C[C@@H](C)CC[C@H](CC=O)O[Si](CC)(CC)CC.
What is the InChIKey of (3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal?
The InChIKey is QBSSHFKRYMSITI-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-6-14(5)10-11-15(12-13-16)17-18(7-2,8-3)9-4/h6,13-15H,1,7-12H2,2-5H3/t14-,15-/m1/s1.
What are the key properties of (3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal?
(3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal has a molecular weight of 270.49 g/mol, XLogP of 4.57, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-methyl-3-triethylsilyloxyoct-7-enal is sourced from PubChem (CID 25215309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).