4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal

C19H40O3Si2 — CID 54332105

IUPAC4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCC(C=CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-16-12-14-17(13-11-15-20)22-24(9,10)19(4,5)6/h11,13,15,17H,12,14,16H2,1-10H3
InChIKeySZBFMXJOUBKQSP-UHFFFAOYSA-N
MW372.70 g/mol
LogP5.93
Rot. Bonds9

About 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal

4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal (PubChem CID 54332105) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal.

Molecular Properties

Compound Name4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal
PubChem CID54332105
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCC(C=CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-16-12-14-17(13-11-15-20)22-24(9,10)19(4,5)6/h11,13,15,17H,12,14,16H2,1-10H3
InChIKeySZBFMXJOUBKQSP-UHFFFAOYSA-N
XLogP5.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal?
The IUPAC name of 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal (CID 54332105) is 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal.
What is the SMILES notation for 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal?
The canonical SMILES for 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal is CC(C)(C)[Si](C)(C)OCCCC(C=CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal?
The InChIKey is SZBFMXJOUBKQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-18(2,3)23(7,8)21-16-12-14-17(13-11-15-20)22-24(9,10)19(4,5)6/h11,13,15,17H,12,14,16H2,1-10H3.
What are the key properties of 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal?
4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal has a molecular weight of 372.70 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal is sourced from PubChem (CID 54332105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).