2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde

C22H40O2Si2 — CID 162210533

IUPAC2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde
SMILESCC1C=C(O[Si](C)(C)C)CCC1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=O
InChIInChI=1S/C22H40O2Si2/c1-17(2)26(18(3)4,19(5)6)14-13-22(16-23)12-11-21(15-20(22)7)24-25(8,9)10/h15-20H,11-12H2,1-10H3
InChIKeyGJCFHSBIFARCMV-UHFFFAOYSA-N
MW392.73 g/mol
LogP6.56
Rot. Bonds6

About 2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde

2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde (PubChem CID 162210533) has the molecular formula C22H40O2Si2 and a molecular weight of 392.73 g/mol. Its IUPAC name is 2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde
PubChem CID162210533
Molecular FormulaC22H40O2Si2
Molecular Weight392.73 g/mol
Exact Mass392.26
IUPAC Name2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde
SMILESCC1C=C(O[Si](C)(C)C)CCC1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=O
InChIInChI=1S/C22H40O2Si2/c1-17(2)26(18(3)4,19(5)6)14-13-22(16-23)12-11-21(15-20(22)7)24-25(8,9)10/h15-20H,11-12H2,1-10H3
InChIKeyGJCFHSBIFARCMV-UHFFFAOYSA-N
XLogP6.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.73
LogP ≤ 56.56
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde (CID 162210533) is 2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde is CC1C=C(O[Si](C)(C)C)CCC1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=O.
What is the InChIKey of 2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde?
The InChIKey is GJCFHSBIFARCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2Si2/c1-17(2)26(18(3)4,19(5)6)14-13-22(16-23)12-11-21(15-20(22)7)24-25(8,9)10/h15-20H,11-12H2,1-10H3.
What are the key properties of 2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde?
2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde has a molecular weight of 392.73 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 162210533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).