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

C20H40O3Si2 — CID 11257625

IUPAC2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde
SMILESCC[Si](CC)(CC)O[C@@]1(CC=O)C=CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-9-25(10-2,11-3)23-20(16-17-21)15-13-12-14-18(20)22-24(7,8)19(4,5)6/h13,15,17-18H,9-12,14,16H2,1-8H3/t18-,20+/m0/s1
InChIKeyJYLPGQPRNNNMAW-AZUAARDMSA-N
MW384.71 g/mol
LogP6.08
Rot. Bonds9

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

2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde (PubChem CID 11257625) has the molecular formula C20H40O3Si2 and a molecular weight of 384.71 g/mol. Its IUPAC name is 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde
PubChem CID11257625
Molecular FormulaC20H40O3Si2
Molecular Weight384.71 g/mol
Exact Mass384.25
IUPAC Name2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde
SMILESCC[Si](CC)(CC)O[C@@]1(CC=O)C=CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-9-25(10-2,11-3)23-20(16-17-21)15-13-12-14-18(20)22-24(7,8)19(4,5)6/h13,15,17-18H,9-12,14,16H2,1-8H3/t18-,20+/m0/s1
InChIKeyJYLPGQPRNNNMAW-AZUAARDMSA-N
XLogP6.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.71
LogP ≤ 56.08
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
2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyloxycyclohex-2-en-1-yl]acetaldehyde
CID 135020587
(3S,4S,7E,9E,11R,12R)-3-methoxy-8,12-dimethyl-4,11-bis(triethylsilyloxy)tetradeca-7,9,13-trienal
CID 11180001
(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-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde (CID 11257625) is 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde is CC[Si](CC)(CC)O[C@@]1(CC=O)C=CCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde?
The InChIKey is JYLPGQPRNNNMAW-AZUAARDMSA-N. The full InChI is InChI=1S/C20H40O3Si2/c1-9-25(10-2,11-3)23-20(16-17-21)15-13-12-14-18(20)22-24(7,8)19(4,5)6/h13,15,17-18H,9-12,14,16H2,1-8H3/t18-,20+/m0/s1.
What are the key properties of 2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde?
2-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde has a molecular weight of 384.71 g/mol, XLogP of 6.08, 9 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-triethylsilyloxycyclohex-2-en-1-yl]acetaldehyde is sourced from PubChem (CID 11257625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).