2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde

C14H26O2Si — CID 14004638

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCC(=CC=O)CC1
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-8-6-12(7-9-13)10-11-15/h10-11,13H,6-9H2,1-5H3/b12-10-
InChIKeyJAOPNJIARMIRNM-BENRWUELSA-N
MW254.45 g/mol
LogP4.08
Rot. Bonds3

About 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde

2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde (PubChem CID 14004638) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde
PubChem CID14004638
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCC(=CC=O)CC1
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-8-6-12(7-9-13)10-11-15/h10-11,13H,6-9H2,1-5H3/b12-10-
InChIKeyJAOPNJIARMIRNM-BENRWUELSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.08
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-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde (CID 14004638) is 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde is CC(C)(C)[Si](C)(C)OC1CCC(=CC=O)CC1.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde?
The InChIKey is JAOPNJIARMIRNM-BENRWUELSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-8-6-12(7-9-13)10-11-15/h10-11,13H,6-9H2,1-5H3/b12-10-.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde?
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde has a molecular weight of 254.45 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetaldehyde is sourced from PubChem (CID 14004638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).