2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde

C13H24O2Si — CID 10890041

IUPAC2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
SMILESCC1=CC(C)(C)C(C=O)(O[Si](C)(C)C)CC1
InChIInChI=1S/C13H24O2Si/c1-11-7-8-13(10-14,12(2,3)9-11)15-16(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyBQWMNYMVZCHQBY-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.54
Rot. Bonds3

About 2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde

2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde (PubChem CID 10890041) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
PubChem CID10890041
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
SMILESCC1=CC(C)(C)C(C=O)(O[Si](C)(C)C)CC1
InChIInChI=1S/C13H24O2Si/c1-11-7-8-13(10-14,12(2,3)9-11)15-16(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyBQWMNYMVZCHQBY-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.54
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde (CID 10890041) is 2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde is CC1=CC(C)(C)C(C=O)(O[Si](C)(C)C)CC1.
What is the InChIKey of 2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is BQWMNYMVZCHQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-11-7-8-13(10-14,12(2,3)9-11)15-16(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 240.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 10890041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).