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

C13H26O3Si — CID 10491464

IUPAC(2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial
SMILESCC(C=O)C(O[Si](C)(C)C(C)(C)C)[C@H](C)C=O
InChIInChI=1S/C13H26O3Si/c1-10(8-14)12(11(2)9-15)16-17(6,7)13(3,4)5/h8-12H,1-7H3/t10-,11?,12?/m1/s1
InChIKeyONPODEWCTSAKCB-VOMCLLRMSA-N
MW258.43 g/mol
LogP3.05
Rot. Bonds6

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

(2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial (PubChem CID 10491464) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial.

Molecular Properties

Compound Name(2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial
PubChem CID10491464
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial
SMILESCC(C=O)C(O[Si](C)(C)C(C)(C)C)[C@H](C)C=O
InChIInChI=1S/C13H26O3Si/c1-10(8-14)12(11(2)9-15)16-17(6,7)13(3,4)5/h8-12H,1-7H3/t10-,11?,12?/m1/s1
InChIKeyONPODEWCTSAKCB-VOMCLLRMSA-N
XLogP3.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial?
The IUPAC name of (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial (CID 10491464) is (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial.
What is the SMILES notation for (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial?
The canonical SMILES for (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial is CC(C=O)C(O[Si](C)(C)C(C)(C)C)[C@H](C)C=O.
What is the InChIKey of (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial?
The InChIKey is ONPODEWCTSAKCB-VOMCLLRMSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10(8-14)12(11(2)9-15)16-17(6,7)13(3,4)5/h8-12H,1-7H3/t10-,11?,12?/m1/s1.
What are the key properties of (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial?
(2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial has a molecular weight of 258.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial is sourced from PubChem (CID 10491464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).