(6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal

C17H32O3Si — CID 15408673

IUPAC(6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal
SMILESC=C(C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O)C(C)(C)CC=O
InChIInChI=1S/C17H32O3Si/c1-13(17(6,7)10-11-18)12-15(14(2)19)20-21(8,9)16(3,4)5/h11,15H,1,10,12H2,2-9H3/t15-/m0/s1
InChIKeyRREYJACTXMGLGV-HNNXBMFYSA-N
MW312.53 g/mol
LogP4.53
Rot. Bonds8

About (6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal

(6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal (PubChem CID 15408673) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is (6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal.

Molecular Properties

Compound Name(6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal
PubChem CID15408673
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name(6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal
SMILESC=C(C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O)C(C)(C)CC=O
InChIInChI=1S/C17H32O3Si/c1-13(17(6,7)10-11-18)12-15(14(2)19)20-21(8,9)16(3,4)5/h11,15H,1,10,12H2,2-9H3/t15-/m0/s1
InChIKeyRREYJACTXMGLGV-HNNXBMFYSA-N
XLogP4.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.53
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 (6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal?
The IUPAC name of (6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal (CID 15408673) is (6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal.
What is the SMILES notation for (6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal?
The canonical SMILES for (6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal is C=C(C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O)C(C)(C)CC=O.
What is the InChIKey of (6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal?
The InChIKey is RREYJACTXMGLGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-13(17(6,7)10-11-18)12-15(14(2)19)20-21(8,9)16(3,4)5/h11,15H,1,10,12H2,2-9H3/t15-/m0/s1.
What are the key properties of (6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal?
(6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal has a molecular weight of 312.53 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal is sourced from PubChem (CID 15408673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).