10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal

C21H38O2Si — CID 57088060

IUPAC10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal
SMILESC=C(C)C(CCC(C)=CCCC(C)=CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O2Si/c1-17(2)20(23-24(8,9)21(5,6)7)14-13-18(3)11-10-12-19(4)15-16-22/h11,15-16,20H,1,10,12-14H2,2-9H3
InChIKeyPWSADNPFJBJVSF-UHFFFAOYSA-N
MW350.62 g/mol
LogP6.60
Rot. Bonds10

About 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal

10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal (PubChem CID 57088060) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal.

Molecular Properties

Compound Name10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal
PubChem CID57088060
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal
SMILESC=C(C)C(CCC(C)=CCCC(C)=CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O2Si/c1-17(2)20(23-24(8,9)21(5,6)7)14-13-18(3)11-10-12-19(4)15-16-22/h11,15-16,20H,1,10,12-14H2,2-9H3
InChIKeyPWSADNPFJBJVSF-UHFFFAOYSA-N
XLogP6.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.60
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal with MolForge

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Related Compounds

(E)-3-methyl-6-triethylsilyloxyhex-2-enal
CID 101521914
(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 11287978
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal
CID 11732584
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal
CID 14591868
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one
CID 101265045
(2E,4S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethylundeca-2,8,10-trienal
CID 134949903
(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal
CID 102574602
(E,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyloct-2-enal
CID 11773982
(E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal
CID 19760587
(3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyltrideca-3,7,12-trien-2-one
CID 21242292
(2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal
CID 21242341

Frequently Asked Questions

What is the IUPAC name of 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal?
The IUPAC name of 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal (CID 57088060) is 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal.
What is the SMILES notation for 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal?
The canonical SMILES for 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal is C=C(C)C(CCC(C)=CCCC(C)=CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal?
The InChIKey is PWSADNPFJBJVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-17(2)20(23-24(8,9)21(5,6)7)14-13-18(3)11-10-12-19(4)15-16-22/h11,15-16,20H,1,10,12-14H2,2-9H3.
What are the key properties of 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal?
10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal has a molecular weight of 350.62 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal is sourced from PubChem (CID 57088060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).