(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde

C14H26O2Si — CID 11345833

IUPAC(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC[C@](C)(C=O)C1
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(5,6)16-12-8-7-9-14(4,10-12)11-15/h7-8,11-12H,9-10H2,1-6H3/t12-,14+/m1/s1
InChIKeyUTYKTPJYVKVEGG-OCCSQVGLSA-N
MW254.45 g/mol
LogP3.93
Rot. Bonds3

About (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde

(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde (PubChem CID 11345833) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde
PubChem CID11345833
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC[C@](C)(C=O)C1
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(5,6)16-12-8-7-9-14(4,10-12)11-15/h7-8,11-12H,9-10H2,1-6H3/t12-,14+/m1/s1
InChIKeyUTYKTPJYVKVEGG-OCCSQVGLSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde (CID 11345833) is (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@@H]1C=CC[C@](C)(C=O)C1.
What is the InChIKey of (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde?
The InChIKey is UTYKTPJYVKVEGG-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-13(2,3)17(5,6)16-12-8-7-9-14(4,10-12)11-15/h7-8,11-12H,9-10H2,1-6H3/t12-,14+/m1/s1.
What are the key properties of (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde?
(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde has a molecular weight of 254.45 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 11345833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).