5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde

C16H30O2Si — CID 11022379

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)C(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H30O2Si/c1-12-9-10-14(16(5,6)13(12)11-17)18-19(7,8)15(2,3)4/h11,14H,9-10H2,1-8H3
InChIKeyNZWXFGIAAJNRAV-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.71
Rot. Bonds3

About 5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde

5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde (PubChem CID 11022379) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
PubChem CID11022379
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)C(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H30O2Si/c1-12-9-10-14(16(5,6)13(12)11-17)18-19(7,8)15(2,3)4/h11,14H,9-10H2,1-8H3
InChIKeyNZWXFGIAAJNRAV-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
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 5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde (CID 11022379) is 5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde is CC1=C(C=O)C(C)(C)C(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde?
The InChIKey is NZWXFGIAAJNRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12-9-10-14(16(5,6)13(12)11-17)18-19(7,8)15(2,3)4/h11,14H,9-10H2,1-8H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde?
5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde has a molecular weight of 282.50 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 11022379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).