1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde

C14H26O2Si — CID 87373120

IUPAC1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC1(C=O)CC=CCC1
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(4,5)16-12-14(11-15)9-7-6-8-10-14/h6-7,11H,8-10,12H2,1-5H3
InChIKeyALOVJSWODIGDEE-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.93
Rot. Bonds4

About 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde

1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde (PubChem CID 87373120) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
PubChem CID87373120
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC1(C=O)CC=CCC1
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(4,5)16-12-14(11-15)9-7-6-8-10-14/h6-7,11H,8-10,12H2,1-5H3
InChIKeyALOVJSWODIGDEE-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.93
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 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde (CID 87373120) is 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde is CC(C)(C)[Si](C)(C)OCC1(C=O)CC=CCC1.
What is the InChIKey of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde?
The InChIKey is ALOVJSWODIGDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-13(2,3)17(4,5)16-12-14(11-15)9-7-6-8-10-14/h6-7,11H,8-10,12H2,1-5H3.
What are the key properties of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde?
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde has a molecular weight of 254.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 87373120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).