4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde

C15H28O2Si — CID 14527304

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde
SMILESCC1(C)C=C(C=O)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-14(2,3)18(6,7)17-13-9-8-12(11-16)10-15(13,4)5/h10-11,13H,8-9H2,1-7H3
InChIKeyJVRDZJJDJBJBHS-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.32
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde

4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde (PubChem CID 14527304) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde
PubChem CID14527304
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde
SMILESCC1(C)C=C(C=O)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-14(2,3)18(6,7)17-13-9-8-12(11-16)10-15(13,4)5/h10-11,13H,8-9H2,1-7H3
InChIKeyJVRDZJJDJBJBHS-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.32
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'}

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde (CID 14527304) is 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde is CC1(C)C=C(C=O)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde?
The InChIKey is JVRDZJJDJBJBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-14(2,3)18(6,7)17-13-9-8-12(11-16)10-15(13,4)5/h10-11,13H,8-9H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde?
4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexene-1-carbaldehyde has a molecular weight of 268.47 g/mol, XLogP of 4.32, 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]oxy-3,3-dimethylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 14527304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).