(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal

C14H30O2Si — CID 56837874

IUPAC(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal
SMILESC[C@@H](CCCCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-13(11-9-7-8-10-12-15)16-17(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3/t13-/m0/s1
InChIKeyQMNFSBIPSSIVNK-ZDUSSCGKSA-N
MW258.48 g/mol
LogP4.55
Rot. Bonds8

About (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal

(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal (PubChem CID 56837874) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal.

Molecular Properties

Compound Name(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal
PubChem CID56837874
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal
SMILESC[C@@H](CCCCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-13(11-9-7-8-10-12-15)16-17(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3/t13-/m0/s1
InChIKeyQMNFSBIPSSIVNK-ZDUSSCGKSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.55
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'}

Analyze (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(Tert-butyldimethylsilyl)oxy]hexanal
CID 11128129
7-((tert-Butyldimethylsilyl)oxy)heptanal
CID 10922800
(R)-3-(t-butyl-dimethylsiloxy)tetradecanal
CID 10893271
5-(Tert-butyldimethylsilyloxy)cyclooctanone
CID 10978090
Octanal, 8-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11108030
2-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 11230305
(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 11345944
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953
4-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 78114747
3-[Tert-butyl(dimethyl)silyl]oxyoctan-2-one
CID 88003235
4-[Tert-butyl(dimethyl)silyl]oxyoctanal
CID 102129337
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one
CID 10244268

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal?
The IUPAC name of (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal (CID 56837874) is (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal.
What is the SMILES notation for (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal?
The canonical SMILES for (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal is C[C@@H](CCCCCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal?
The InChIKey is QMNFSBIPSSIVNK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-13(11-9-7-8-10-12-15)16-17(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3/t13-/m0/s1.
What are the key properties of (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal?
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal has a molecular weight of 258.48 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal is sourced from PubChem (CID 56837874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).