(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal

C13H26O2Si — CID 72545713

IUPAC(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal
SMILESC=CC[C@@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-9-11(2)12(10-14)15-16(6,7)13(3,4)5/h8,10-12H,1,9H2,2-7H3/t11-,12+/m1/s1
InChIKeyIEZZOESKFRUKTK-NEPJUHHUSA-N
MW242.43 g/mol
LogP3.79
Rot. Bonds6

About (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal

(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal (PubChem CID 72545713) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal.

Molecular Properties

Compound Name(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal
PubChem CID72545713
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal
SMILESC=CC[C@@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-9-11(2)12(10-14)15-16(6,7)13(3,4)5/h8,10-12H,1,9H2,2-7H3/t11-,12+/m1/s1
InChIKeyIEZZOESKFRUKTK-NEPJUHHUSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.79
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal?
The IUPAC name of (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal (CID 72545713) is (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal.
What is the SMILES notation for (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal?
The canonical SMILES for (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal is C=CC[C@@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal?
The InChIKey is IEZZOESKFRUKTK-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-8-9-11(2)12(10-14)15-16(6,7)13(3,4)5/h8,10-12H,1,9H2,2-7H3/t11-,12+/m1/s1.
What are the key properties of (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal?
(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal has a molecular weight of 242.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal is sourced from PubChem (CID 72545713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).