4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde

C13H24O2Si — CID 154052262

IUPAC4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(C=O)CC1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12/h6,10,12H,7-9H2,1-5H3
InChIKeyAESOGDHRWAPCMR-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.69
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde

4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde (PubChem CID 154052262) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde
PubChem CID154052262
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(C=O)CC1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12/h6,10,12H,7-9H2,1-5H3
InChIKeyAESOGDHRWAPCMR-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.69
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde (CID 154052262) is 4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC1CC=C(C=O)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde?
The InChIKey is AESOGDHRWAPCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12/h6,10,12H,7-9H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde?
4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde has a molecular weight of 240.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde is sourced from PubChem (CID 154052262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).