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

C16H32O3Si — CID 11120141

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde
SMILESCC1(O)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=O
InChIInChI=1S/C16H32O3Si/c1-14(2,3)20(7,8)19-13-9-10-16(6,18)12(11-17)15(13,4)5/h11-13,18H,9-10H2,1-8H3
InChIKeyBCWKJELNEYZMQR-UHFFFAOYSA-N
MW300.51 g/mol
LogP3.76
Rot. Bonds3

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

3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde (PubChem CID 11120141) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde
PubChem CID11120141
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde
SMILESCC1(O)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=O
InChIInChI=1S/C16H32O3Si/c1-14(2,3)20(7,8)19-13-9-10-16(6,18)12(11-17)15(13,4)5/h11-13,18H,9-10H2,1-8H3
InChIKeyBCWKJELNEYZMQR-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
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 3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde (CID 11120141) is 3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde is CC1(O)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde?
The InChIKey is BCWKJELNEYZMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-14(2,3)20(7,8)19-13-9-10-16(6,18)12(11-17)15(13,4)5/h11-13,18H,9-10H2,1-8H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde?
3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde has a molecular weight of 300.51 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,6-trimethylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 11120141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).