(5S)-5-triethylsilyloxyheptanal

C13H28O2Si — CID 138981464

IUPAC(5S)-5-triethylsilyloxyheptanal
SMILESCC[C@@H](CCCC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C13H28O2Si/c1-5-13(11-9-10-12-14)15-16(6-2,7-3)8-4/h12-13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyVPYMLXNDZNVTFS-ZDUSSCGKSA-N
MW244.45 g/mol
LogP4.16
Rot. Bonds10

About (5S)-5-triethylsilyloxyheptanal

(5S)-5-triethylsilyloxyheptanal (PubChem CID 138981464) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (5S)-5-triethylsilyloxyheptanal.

Molecular Properties

Compound Name(5S)-5-triethylsilyloxyheptanal
PubChem CID138981464
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(5S)-5-triethylsilyloxyheptanal
SMILESCC[C@@H](CCCC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C13H28O2Si/c1-5-13(11-9-10-12-14)15-16(6-2,7-3)8-4/h12-13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyVPYMLXNDZNVTFS-ZDUSSCGKSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.16
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'}

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Related Compounds

2-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 11230305
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexanal
CID 11831251
4-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 78114747
4-[Tert-butyl(dimethyl)silyl]oxyoctanal
CID 102129337
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanal
CID 13741476
(3R)-3-[(Triethylsilyl)oxy]octanal
CID 15605975
6-[Tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal
CID 25111742
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 56837874
(4R)-4-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 71567161
5-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 85369670
(4R,5R)-5-[(tert-Butyldimethylsilyl)oxy]-4-methylheptanal
CID 129889198

Frequently Asked Questions

What is the IUPAC name of (5S)-5-triethylsilyloxyheptanal?
The IUPAC name of (5S)-5-triethylsilyloxyheptanal (CID 138981464) is (5S)-5-triethylsilyloxyheptanal.
What is the SMILES notation for (5S)-5-triethylsilyloxyheptanal?
The canonical SMILES for (5S)-5-triethylsilyloxyheptanal is CC[C@@H](CCCC=O)O[Si](CC)(CC)CC.
What is the InChIKey of (5S)-5-triethylsilyloxyheptanal?
The InChIKey is VPYMLXNDZNVTFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-5-13(11-9-10-12-14)15-16(6-2,7-3)8-4/h12-13H,5-11H2,1-4H3/t13-/m0/s1.
What are the key properties of (5S)-5-triethylsilyloxyheptanal?
(5S)-5-triethylsilyloxyheptanal has a molecular weight of 244.45 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-triethylsilyloxyheptanal is sourced from PubChem (CID 138981464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).