(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde

C16H30O2Si — CID 10684339

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O2Si/c1-12-9-13(10-16(5,6)14(12)11-17)18-19(7,8)15(2,3)4/h11,13H,9-10H2,1-8H3/t13-/m1/s1
InChIKeyWUYPSFGCJLGNEY-CYBMUJFWSA-N
MW282.50 g/mol
LogP4.71
Rot. Bonds3

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde (PubChem CID 10684339) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
PubChem CID10684339
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O2Si/c1-12-9-13(10-16(5,6)14(12)11-17)18-19(7,8)15(2,3)4/h11,13H,9-10H2,1-8H3/t13-/m1/s1
InChIKeyWUYPSFGCJLGNEY-CYBMUJFWSA-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 (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde (CID 10684339) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde is CC1=C(C=O)C(C)(C)C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde?
The InChIKey is WUYPSFGCJLGNEY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12-9-13(10-16(5,6)14(12)11-17)18-19(7,8)15(2,3)4/h11,13H,9-10H2,1-8H3/t13-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde?
(4R)-4-[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 (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 10684339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).