(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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Related Compounds

CID 53329187
CID 53329187
CID 11003293
CID 11003293
CID 11111192
CID 11111192
CID 11245787
CID 11245787
CID 11717470
CID 11717470
CID 72701907
CID 72701907
CID 134963669
CID 134963669
CID 11005137
CID 11005137
CID 5085123
CID 5085123
CID 11253593
CID 11253593
CID 11257750
CID 11257750
CID 22178202
CID 22178202

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).