(Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal

C24H48O2Si — CID 102238933

IUPAC(Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal
SMILESCCCCCCC(C/C=C\CCCCCCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O2Si/c1-7-8-9-17-20-23(26-27(5,6)24(2,3)4)21-18-15-13-11-10-12-14-16-19-22-25/h15,18,22-23H,7-14,16-17,19-21H2,1-6H3/b18-15-
InChIKeyIULBJBLSDDXJJP-SDXDJHTJSA-N
MW396.73 g/mol
LogP8.22
Rot. Bonds17

About (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal

(Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal (PubChem CID 102238933) has the molecular formula C24H48O2Si and a molecular weight of 396.73 g/mol. Its IUPAC name is (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal.

Molecular Properties

Compound Name(Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal
PubChem CID102238933
Molecular FormulaC24H48O2Si
Molecular Weight396.73 g/mol
Exact Mass396.34
IUPAC Name(Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal
SMILESCCCCCCC(C/C=C\CCCCCCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O2Si/c1-7-8-9-17-20-23(26-27(5,6)24(2,3)4)21-18-15-13-11-10-12-14-16-19-22-25/h15,18,22-23H,7-14,16-17,19-21H2,1-6H3/b18-15-
InChIKeyIULBJBLSDDXJJP-SDXDJHTJSA-N
XLogP8.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.73
LogP ≤ 58.22
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal?
The IUPAC name of (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal (CID 102238933) is (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal.
What is the SMILES notation for (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal?
The canonical SMILES for (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal is CCCCCCC(C/C=C\CCCCCCCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal?
The InChIKey is IULBJBLSDDXJJP-SDXDJHTJSA-N. The full InChI is InChI=1S/C24H48O2Si/c1-7-8-9-17-20-23(26-27(5,6)24(2,3)4)21-18-15-13-11-10-12-14-16-19-22-25/h15,18,22-23H,7-14,16-17,19-21H2,1-6H3/b18-15-.
What are the key properties of (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal?
(Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal has a molecular weight of 396.73 g/mol, XLogP of 8.22, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enal is sourced from PubChem (CID 102238933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).