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

C19H40O3Si2 — CID 56946003

IUPAC(1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde
SMILESCC1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@](C)(O[Si](C)(C)C)[C@@H]1C=O
InChIInChI=1S/C19H40O3Si2/c1-17(2,3)24(10,11)21-15-12-18(4,5)16(14-20)19(6,13-15)22-23(7,8)9/h14-16H,12-13H2,1-11H3/t15-,16-,19+/m1/s1
InChIKeyUSWSXFISZJDMCC-MDZRGWNJSA-N
MW372.70 g/mol
LogP5.62
Rot. Bonds5

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

(1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde (PubChem CID 56946003) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is (1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name(1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde
PubChem CID56946003
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name(1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde
SMILESCC1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@](C)(O[Si](C)(C)C)[C@@H]1C=O
InChIInChI=1S/C19H40O3Si2/c1-17(2,3)24(10,11)21-15-12-18(4,5)16(14-20)19(6,13-15)22-23(7,8)9/h14-16H,12-13H2,1-11H3/t15-,16-,19+/m1/s1
InChIKeyUSWSXFISZJDMCC-MDZRGWNJSA-N
XLogP5.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.62
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 (1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde?
The IUPAC name of (1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde (CID 56946003) is (1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde.
What is the SMILES notation for (1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde?
The canonical SMILES for (1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde is CC1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@](C)(O[Si](C)(C)C)[C@@H]1C=O.
What is the InChIKey of (1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde?
The InChIKey is USWSXFISZJDMCC-MDZRGWNJSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-17(2,3)24(10,11)21-15-12-18(4,5)16(14-20)19(6,13-15)22-23(7,8)9/h14-16H,12-13H2,1-11H3/t15-,16-,19+/m1/s1.
What are the key properties of (1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde?
(1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde has a molecular weight of 372.70 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-6-trimethylsilyloxycyclohexane-1-carbaldehyde is sourced from PubChem (CID 56946003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).