2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde

C17H34O3Si2 — CID 135020587

IUPAC2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC=C[C@]1(CC=O)O[Si](C)(C)C
InChIInChI=1S/C17H34O3Si2/c1-16(2,3)22(7,8)19-15-11-9-10-12-17(15,13-14-18)20-21(4,5)6/h10,12,14-15H,9,11,13H2,1-8H3/t15-,17+/m0/s1
InChIKeyAWQJPNRHGRNEEM-DOTOQJQBSA-N
MW342.63 g/mol
LogP4.91
Rot. Bonds6

About 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde

2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde (PubChem CID 135020587) has the molecular formula C17H34O3Si2 and a molecular weight of 342.63 g/mol. Its IUPAC name is 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde
PubChem CID135020587
Molecular FormulaC17H34O3Si2
Molecular Weight342.63 g/mol
Exact Mass342.20
IUPAC Name2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC=C[C@]1(CC=O)O[Si](C)(C)C
InChIInChI=1S/C17H34O3Si2/c1-16(2,3)22(7,8)19-15-11-9-10-12-17(15,13-14-18)20-21(4,5)6/h10,12,14-15H,9,11,13H2,1-8H3/t15-,17+/m0/s1
InChIKeyAWQJPNRHGRNEEM-DOTOQJQBSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 54.91
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde
CID 10863183
(3S,4S,7E,9E,11R,12R)-3-methoxy-8,12-dimethyl-4,11-bis(triethylsilyloxy)tetradeca-7,9,13-trienal
CID 11180001
2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde
CID 11257625
(2R)-2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-3-triethylsilyloxypropanal
CID 11516854
(3S,4S,7E,9E,11S,12R)-3-methoxy-8,12-dimethyl-4,11-bis(triethylsilyloxy)tetradeca-7,9,13-trienal
CID 101370777

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde (CID 135020587) is 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1CCC=C[C@]1(CC=O)O[Si](C)(C)C.
What is the InChIKey of 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde?
The InChIKey is AWQJPNRHGRNEEM-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H34O3Si2/c1-16(2,3)22(7,8)19-15-11-9-10-12-17(15,13-14-18)20-21(4,5)6/h10,12,14-15H,9,11,13H2,1-8H3/t15-,17+/m0/s1.
What are the key properties of 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde?
2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde has a molecular weight of 342.63 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde is sourced from PubChem (CID 135020587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).