(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal

C13H28O2Si — CID 14014588

IUPAC(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
SMILESC[C@H](CCC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(8-7-10-14)9-11-15-16(5,6)13(2,3)4/h10,12H,7-9,11H2,1-6H3/t12-/m1/s1
InChIKeyGFBFCMJKKULLHC-GFCCVEGCSA-N
MW244.45 g/mol
LogP4.01
Rot. Bonds7

About (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal

(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal (PubChem CID 14014588) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal.

Molecular Properties

Compound Name(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
PubChem CID14014588
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
SMILESC[C@H](CCC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-12(8-7-10-14)9-11-15-16(5,6)13(2,3)4/h10,12H,7-9,11H2,1-6H3/t12-/m1/s1
InChIKeyGFBFCMJKKULLHC-GFCCVEGCSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.01
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 (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal?
The IUPAC name of (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal (CID 14014588) is (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal.
What is the SMILES notation for (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal?
The canonical SMILES for (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal is C[C@H](CCC=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal?
The InChIKey is GFBFCMJKKULLHC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-12(8-7-10-14)9-11-15-16(5,6)13(2,3)4/h10,12H,7-9,11H2,1-6H3/t12-/m1/s1.
What are the key properties of (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal?
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal has a molecular weight of 244.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal is sourced from PubChem (CID 14014588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).