5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal

C22H28O2Si — CID 10665724

IUPAC5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
SMILESC=C(C=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O2Si/c1-19(18-23)12-11-17-24-25(22(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,18H,1,11-12,17H2,2-4H3
InChIKeyUCKGQWDUOPSLBA-UHFFFAOYSA-N
MW352.55 g/mol
LogP4.10
Rot. Bonds8

About 5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal

5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal (PubChem CID 10665724) has the molecular formula C22H28O2Si and a molecular weight of 352.55 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
PubChem CID10665724
Molecular FormulaC22H28O2Si
Molecular Weight352.55 g/mol
Exact Mass352.19
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
SMILESC=C(C=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O2Si/c1-19(18-23)12-11-17-24-25(22(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,18H,1,11-12,17H2,2-4H3
InChIKeyUCKGQWDUOPSLBA-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
CID 71605136
(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal
CID 71605137
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate
CID 99772672
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
CID 171538124
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal (CID 10665724) is 5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal is C=C(C=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal?
The InChIKey is UCKGQWDUOPSLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2Si/c1-19(18-23)12-11-17-24-25(22(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,18H,1,11-12,17H2,2-4H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal?
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal has a molecular weight of 352.55 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal is sourced from PubChem (CID 10665724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).