(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal

C13H28O2Si — CID 134895909

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal
SMILESCC(C)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11(2)10-12(8-9-14)15-16(6,7)13(3,4)5/h9,11-12H,8,10H2,1-7H3/t12-/m0/s1
InChIKeyLURTYFHJSCHTOX-LBPRGKRZSA-N
MW244.45 g/mol
LogP4.01
Rot. Bonds6

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal (PubChem CID 134895909) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal
PubChem CID134895909
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal
SMILESCC(C)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11(2)10-12(8-9-14)15-16(6,7)13(3,4)5/h9,11-12H,8,10H2,1-7H3/t12-/m0/s1
InChIKeyLURTYFHJSCHTOX-LBPRGKRZSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal (CID 134895909) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal is CC(C)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal?
The InChIKey is LURTYFHJSCHTOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-11(2)10-12(8-9-14)15-16(6,7)13(3,4)5/h9,11-12H,8,10H2,1-7H3/t12-/m0/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal has a molecular weight of 244.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal is sourced from PubChem (CID 134895909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).