(5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal

C24H46O3Si2 — CID 11729860

IUPAC(5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCC=O)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O3Si2/c1-13-17-22(27-29(11,12)24(6,7)8)20(18-15-16-19-25)21(14-2)26-28(9,10)23(3,4)5/h1,14,19-22H,2,15-18H2,3-12H3/t20-,21-,22-/m1/s1
InChIKeyJWYMZXQWCHUCHI-YPAWHYETSA-N
MW438.80 g/mol
LogP6.96
Rot. Bonds12

About (5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal

(5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal (PubChem CID 11729860) has the molecular formula C24H46O3Si2 and a molecular weight of 438.80 g/mol. Its IUPAC name is (5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal.

Molecular Properties

Compound Name(5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal
PubChem CID11729860
Molecular FormulaC24H46O3Si2
Molecular Weight438.80 g/mol
Exact Mass438.30
IUPAC Name(5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCC=O)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O3Si2/c1-13-17-22(27-29(11,12)24(6,7)8)20(18-15-16-19-25)21(14-2)26-28(9,10)23(3,4)5/h1,14,19-22H,2,15-18H2,3-12H3/t20-,21-,22-/m1/s1
InChIKeyJWYMZXQWCHUCHI-YPAWHYETSA-N
XLogP6.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.80
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal?
The IUPAC name of (5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal (CID 11729860) is (5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal.
What is the SMILES notation for (5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal?
The canonical SMILES for (5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCC=O)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal?
The InChIKey is JWYMZXQWCHUCHI-YPAWHYETSA-N. The full InChI is InChI=1S/C24H46O3Si2/c1-13-17-22(27-29(11,12)24(6,7)8)20(18-15-16-19-25)21(14-2)26-28(9,10)23(3,4)5/h1,14,19-22H,2,15-18H2,3-12H3/t20-,21-,22-/m1/s1.
What are the key properties of (5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal?
(5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal has a molecular weight of 438.80 g/mol, XLogP of 6.96, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal is sourced from PubChem (CID 11729860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).