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

C15H26O2Si — CID 11108313

IUPAC3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
SMILESC=CC1=C(C)CCC(C=O)(O[Si](C)(C)C)C1(C)C
InChIInChI=1S/C15H26O2Si/c1-8-13-12(2)9-10-15(11-16,14(13,3)4)17-18(5,6)7/h8,11H,1,9-10H2,2-7H3
InChIKeyLIXULGSPLRZSQZ-UHFFFAOYSA-N
MW266.46 g/mol
LogP4.10
Rot. Bonds4

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

3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde (PubChem CID 11108313) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is 3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
PubChem CID11108313
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
SMILESC=CC1=C(C)CCC(C=O)(O[Si](C)(C)C)C1(C)C
InChIInChI=1S/C15H26O2Si/c1-8-13-12(2)9-10-15(11-16,14(13,3)4)17-18(5,6)7/h8,11H,1,9-10H2,2-7H3
InChIKeyLIXULGSPLRZSQZ-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 54.10
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 3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde (CID 11108313) is 3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde is C=CC1=C(C)CCC(C=O)(O[Si](C)(C)C)C1(C)C.
What is the InChIKey of 3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is LIXULGSPLRZSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-8-13-12(2)9-10-15(11-16,14(13,3)4)17-18(5,6)7/h8,11H,1,9-10H2,2-7H3.
What are the key properties of 3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 266.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 11108313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).