6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal

C22H44O6Si — CID 10526753

IUPAC6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)CC(CC(C=O)(OC)OC)OC(C)(C)OC
InChIInChI=1S/C22H44O6Si/c1-12-18(13-14-27-29(10,11)20(2,3)4)15-19(28-21(5,6)24-7)16-22(17-23,25-8)26-9/h12,17-19H,1,13-16H2,2-11H3
InChIKeyUNQBLXNFRRTQNI-UHFFFAOYSA-N
MW432.67 g/mol
LogP4.94
Rot. Bonds15

About 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal

6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal (PubChem CID 10526753) has the molecular formula C22H44O6Si and a molecular weight of 432.67 g/mol. Its IUPAC name is 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal.

Molecular Properties

Compound Name6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal
PubChem CID10526753
Molecular FormulaC22H44O6Si
Molecular Weight432.67 g/mol
Exact Mass432.29
IUPAC Name6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)CC(CC(C=O)(OC)OC)OC(C)(C)OC
InChIInChI=1S/C22H44O6Si/c1-12-18(13-14-27-29(10,11)20(2,3)4)15-19(28-21(5,6)24-7)16-22(17-23,25-8)26-9/h12,17-19H,1,13-16H2,2-11H3
InChIKeyUNQBLXNFRRTQNI-UHFFFAOYSA-N
XLogP4.94
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.67
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one
CID 53392362
(2R,3S,4R)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-one
CID 11733638
(2S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one
CID 57931497
1-[Tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3,6,6-tetramethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-5-one
CID 10628432
1-[Tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-one
CID 10675466

Frequently Asked Questions

What is the IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal?
The IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal (CID 10526753) is 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal.
What is the SMILES notation for 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal?
The canonical SMILES for 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal is C=CC(CCO[Si](C)(C)C(C)(C)C)CC(CC(C=O)(OC)OC)OC(C)(C)OC.
What is the InChIKey of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal?
The InChIKey is UNQBLXNFRRTQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O6Si/c1-12-18(13-14-27-29(10,11)20(2,3)4)15-19(28-21(5,6)24-7)16-22(17-23,25-8)26-9/h12,17-19H,1,13-16H2,2-11H3.
What are the key properties of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal?
6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal has a molecular weight of 432.67 g/mol, XLogP of 4.94, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethoxy-4-(2-methoxypropan-2-yloxy)oct-7-enal is sourced from PubChem (CID 10526753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).