2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal

C13H26O2Si — CID 135036802

IUPAC2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal
SMILESC=CCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-8-9-10-12(11-14)15-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3
InChIKeyZOMQAPCZNDDGOK-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds7

About 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal

2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal (PubChem CID 135036802) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal
PubChem CID135036802
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal
SMILESC=CCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-8-9-10-12(11-14)15-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3
InChIKeyZOMQAPCZNDDGOK-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
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 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal (CID 135036802) is 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal is C=CCCCC(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal?
The InChIKey is ZOMQAPCZNDDGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-8-9-10-12(11-14)15-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal?
2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal has a molecular weight of 242.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enal is sourced from PubChem (CID 135036802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).