2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde

C16H30O2Si — CID 22319781

IUPAC2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(=CC=O)CCC1
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-15-10-6-8-14(12-13-17)9-7-11-15/h12-13,15H,6-11H2,1-5H3/b14-12-
InChIKeyZNWCJVHJWDTOBZ-OWBHPGMISA-N
MW282.50 g/mol
LogP4.86
Rot. Bonds3

About 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde

2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde (PubChem CID 22319781) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde.

Molecular Properties

Compound Name2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde
PubChem CID22319781
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(=CC=O)CCC1
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-15-10-6-8-14(12-13-17)9-7-11-15/h12-13,15H,6-11H2,1-5H3/b14-12-
InChIKeyZNWCJVHJWDTOBZ-OWBHPGMISA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.86
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde?
The IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde (CID 22319781) is 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde.
What is the SMILES notation for 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde?
The canonical SMILES for 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde is CC(C)(C)[Si](C)(C)OC1CCCC(=CC=O)CCC1.
What is the InChIKey of 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde?
The InChIKey is ZNWCJVHJWDTOBZ-OWBHPGMISA-N. The full InChI is InChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-15-10-6-8-14(12-13-17)9-7-11-15/h12-13,15H,6-11H2,1-5H3/b14-12-.
What are the key properties of 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde?
2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde has a molecular weight of 282.50 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde is sourced from PubChem (CID 22319781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).