(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal

C14H30O2Si — CID 11821284

IUPAC(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
SMILESCC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C14H30O2Si/c1-9-11(2)13(12(3)10-15)16-17(7,8)14(4,5)6/h10-13H,9H2,1-8H3/t11-,12?,13+/m0/s1
InChIKeyKBQQZGMZQDTEPB-IAMFDIQRSA-N
MW258.48 g/mol
LogP4.26
Rot. Bonds6

About (2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal

(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal (PubChem CID 11821284) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal.

Molecular Properties

Compound Name(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
PubChem CID11821284
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
SMILESCC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C14H30O2Si/c1-9-11(2)13(12(3)10-15)16-17(7,8)14(4,5)6/h10-13H,9H2,1-8H3/t11-,12?,13+/m0/s1
InChIKeyKBQQZGMZQDTEPB-IAMFDIQRSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.26
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal?
The IUPAC name of (2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal (CID 11821284) is (2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal.
What is the SMILES notation for (2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal?
The canonical SMILES for (2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal is CC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C=O.
What is the InChIKey of (2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal?
The InChIKey is KBQQZGMZQDTEPB-IAMFDIQRSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-9-11(2)13(12(3)10-15)16-17(7,8)14(4,5)6/h10-13H,9H2,1-8H3/t11-,12?,13+/m0/s1.
What are the key properties of (2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal?
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal has a molecular weight of 258.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal is sourced from PubChem (CID 11821284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).