4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde

C11H20OSi — CID 12563470

IUPAC4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde
SMILESC[Si](C)(C)CC1=CCC(C=O)CC1
InChIInChI=1S/C11H20OSi/c1-13(2,3)9-11-6-4-10(8-12)5-7-11/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyPTJDAESHYAVRRS-UHFFFAOYSA-N
MW196.37 g/mol
LogP3.25
Rot. Bonds3

About 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde

4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde (PubChem CID 12563470) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde
PubChem CID12563470
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde
SMILESC[Si](C)(C)CC1=CCC(C=O)CC1
InChIInChI=1S/C11H20OSi/c1-13(2,3)9-11-6-4-10(8-12)5-7-11/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyPTJDAESHYAVRRS-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde (CID 12563470) is 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde is C[Si](C)(C)CC1=CCC(C=O)CC1.
What is the InChIKey of 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde?
The InChIKey is PTJDAESHYAVRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-13(2,3)9-11-6-4-10(8-12)5-7-11/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde?
4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde has a molecular weight of 196.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 12563470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).