6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde

C14H24O3Si — CID 85139191

IUPAC6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCC=C(C=O)C1C=O
InChIInChI=1S/C14H24O3Si/c1-14(2,3)18(4,5)17-13-8-6-7-11(9-15)12(13)10-16/h7,9-10,12-13H,6,8H2,1-5H3
InChIKeyIABIBOPMJOJEBU-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.11
Rot. Bonds4

About 6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde

6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde (PubChem CID 85139191) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde
PubChem CID85139191
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCC=C(C=O)C1C=O
InChIInChI=1S/C14H24O3Si/c1-14(2,3)18(4,5)17-13-8-6-7-11(9-15)12(13)10-16/h7,9-10,12-13H,6,8H2,1-5H3
InChIKeyIABIBOPMJOJEBU-UHFFFAOYSA-N
XLogP3.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde (CID 85139191) is 6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde is CC(C)(C)[Si](C)(C)OC1CCC=C(C=O)C1C=O.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde?
The InChIKey is IABIBOPMJOJEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-14(2,3)18(4,5)17-13-8-6-7-11(9-15)12(13)10-16/h7,9-10,12-13H,6,8H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde?
6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde has a molecular weight of 268.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde is sourced from PubChem (CID 85139191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).