(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal

C19H42O3Si2 — CID 10861695

IUPAC(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal
SMILESCC(C)(C=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-17(2,3)23(9,10)21-14-13-16(19(7,8)15-20)22-24(11,12)18(4,5)6/h15-16H,13-14H2,1-12H3/t16-/m0/s1
InChIKeyJGCPIQIDIBNWDL-INIZCTEOSA-N
MW374.71 g/mol
LogP6.01
Rot. Bonds8

About (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal

(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal (PubChem CID 10861695) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal.

Molecular Properties

Compound Name(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal
PubChem CID10861695
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal
SMILESCC(C)(C=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-17(2,3)23(9,10)21-14-13-16(19(7,8)15-20)22-24(11,12)18(4,5)6/h15-16H,13-14H2,1-12H3/t16-/m0/s1
InChIKeyJGCPIQIDIBNWDL-INIZCTEOSA-N
XLogP6.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 56.01
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 (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal?
The IUPAC name of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal (CID 10861695) is (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal.
What is the SMILES notation for (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal?
The canonical SMILES for (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal is CC(C)(C=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal?
The InChIKey is JGCPIQIDIBNWDL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-17(2,3)23(9,10)21-14-13-16(19(7,8)15-20)22-24(11,12)18(4,5)6/h15-16H,13-14H2,1-12H3/t16-/m0/s1.
What are the key properties of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal?
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal has a molecular weight of 374.71 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal is sourced from PubChem (CID 10861695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).