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

C16H30O2Si — CID 171450110

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-12-13(11-17)16(5,6)10-9-14(12)18-19(7,8)15(2,3)4/h11,14H,9-10H2,1-8H3
InChIKeyIVOFLKCEFHPARY-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.71
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde

3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde (PubChem CID 171450110) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
PubChem CID171450110
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-12-13(11-17)16(5,6)10-9-14(12)18-19(7,8)15(2,3)4/h11,14H,9-10H2,1-8H3
InChIKeyIVOFLKCEFHPARY-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 3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde (CID 171450110) is 3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde is CC1=C(C=O)C(C)(C)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde?
The InChIKey is IVOFLKCEFHPARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12-13(11-17)16(5,6)10-9-14(12)18-19(7,8)15(2,3)4/h11,14H,9-10H2,1-8H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde?
3-[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 3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 171450110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).