2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde

C12H22O3Si — CID 11470541

IUPAC2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
SMILESCOC1C=C(O[Si](C)(C)C)CCC1(C)C=O
InChIInChI=1S/C12H22O3Si/c1-12(9-13)7-6-10(8-11(12)14-2)15-16(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyBGQYPOHNHTWELQ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.74
Rot. Bonds4

About 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde

2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde (PubChem CID 11470541) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
PubChem CID11470541
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
SMILESCOC1C=C(O[Si](C)(C)C)CCC1(C)C=O
InChIInChI=1S/C12H22O3Si/c1-12(9-13)7-6-10(8-11(12)14-2)15-16(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyBGQYPOHNHTWELQ-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
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 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde (CID 11470541) is 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde is COC1C=C(O[Si](C)(C)C)CCC1(C)C=O.
What is the InChIKey of 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is BGQYPOHNHTWELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-12(9-13)7-6-10(8-11(12)14-2)15-16(3,4)5/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 242.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 11470541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).