2-[butyl(ditert-butyl)silyl]oxyhexanal

C18H38O2Si — CID 10495503

IUPAC2-[butyl(ditert-butyl)silyl]oxyhexanal
SMILESCCCCC(C=O)O[Si](CCCC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38O2Si/c1-9-11-13-16(15-19)20-21(14-12-10-2,17(3,4)5)18(6,7)8/h15-16H,9-14H2,1-8H3
InChIKeyJGZAQUJWZDKGJH-UHFFFAOYSA-N
MW314.59 g/mol
LogP6.11
Rot. Bonds9

About 2-[butyl(ditert-butyl)silyl]oxyhexanal

2-[butyl(ditert-butyl)silyl]oxyhexanal (PubChem CID 10495503) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is 2-[butyl(ditert-butyl)silyl]oxyhexanal.

Molecular Properties

Compound Name2-[butyl(ditert-butyl)silyl]oxyhexanal
PubChem CID10495503
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name2-[butyl(ditert-butyl)silyl]oxyhexanal
SMILESCCCCC(C=O)O[Si](CCCC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38O2Si/c1-9-11-13-16(15-19)20-21(14-12-10-2,17(3,4)5)18(6,7)8/h15-16H,9-14H2,1-8H3
InChIKeyJGZAQUJWZDKGJH-UHFFFAOYSA-N
XLogP6.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 56.11
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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Related Compounds

2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
2-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 11230305
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexanal
CID 11831251
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-[Ditert-butyl(oct-1-ynyl)silyl]oxyhexanal
CID 10808929
(2R)-2-[tert-butyl(dimethyl)silyl]oxytetradecanal
CID 11772259
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanal
CID 13741476
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhexadecanal
CID 60195517
Bissilyloxy aldehyde
CID 139046915
2-[Tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
(2S)-2-{[Tri(propan-2-yl)silyl]oxy}heptanal
CID 15259574
(2S)-2-tri(propan-2-yl)silyloxydecanal
CID 101994421

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ditert-butyl)silyl]oxyhexanal?
The IUPAC name of 2-[butyl(ditert-butyl)silyl]oxyhexanal (CID 10495503) is 2-[butyl(ditert-butyl)silyl]oxyhexanal.
What is the SMILES notation for 2-[butyl(ditert-butyl)silyl]oxyhexanal?
The canonical SMILES for 2-[butyl(ditert-butyl)silyl]oxyhexanal is CCCCC(C=O)O[Si](CCCC)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[butyl(ditert-butyl)silyl]oxyhexanal?
The InChIKey is JGZAQUJWZDKGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-9-11-13-16(15-19)20-21(14-12-10-2,17(3,4)5)18(6,7)8/h15-16H,9-14H2,1-8H3.
What are the key properties of 2-[butyl(ditert-butyl)silyl]oxyhexanal?
2-[butyl(ditert-butyl)silyl]oxyhexanal has a molecular weight of 314.59 g/mol, XLogP of 6.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ditert-butyl)silyl]oxyhexanal is sourced from PubChem (CID 10495503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).