2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

C42H74O7Si2 — CID 11204950

About 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (PubChem CID 11204950) has the molecular formula C42H74O7Si2 and a molecular weight of 747.22 g/mol. Its IUPAC name is 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.

Molecular Properties

• Compound Name: 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
• PubChem CID: 11204950
• Molecular Formula: C42H74O7Si2
• Molecular Weight: 747.22 g/mol
• Exact Mass: 746.50
• IUPAC Name: 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
• SMILES: C=C(C[C@H](C)C[C@@H]1CC=C[C@@H](CC=O)O1)C[C@@H](/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/[C@@H]1CC(C)=CCO1)O[Si](C)(C)C(C)(C)C)OCOC
• InChI: InChI=1S/C42H74O7Si2/c1-32-24-26-45-37(28-32)21-22-40(49-51(13,14)42(7,8)9)39(48-50(11,12)41(4,5)6)20-16-18-36(46-31-44-10)29-33(2)27-34(3)30-38-19-15-17-35(47-38)23-25-43/h15-18,21-22,24-25,34-40H,2,19-20,23,26-31H2,1,3-14H3/b18-16+,22-21+/t34-,35-,36+,37+,38-,39-,40-/m0/s1
• InChIKey: OONGFBCVQCOGOR-ULRLVJDOSA-N
• XLogP: 10.66
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 21
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.22
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?

The IUPAC name of 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (CID 11204950) is 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.

What is the SMILES notation for 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?

The canonical SMILES for 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is C=C(C[C@H](C)C[C@@H]1CC=C[C@@H](CC=O)O1)C[C@@H](/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/[C@@H]1CC(C)=CCO1)O[Si](C)(C)C(C)(C)C)OCOC.

What is the InChIKey of 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?

The InChIKey is OONGFBCVQCOGOR-ULRLVJDOSA-N. The full InChI is InChI=1S/C42H74O7Si2/c1-32-24-26-45-37(28-32)21-22-40(49-51(13,14)42(7,8)9)39(48-50(11,12)41(4,5)6)20-16-18-36(46-31-44-10)29-33(2)27-34(3)30-38-19-15-17-35(47-38)23-25-43/h15-18,21-22,24-25,34-40H,2,19-20,23,26-31H2,1,3-14H3/b18-16+,22-21+/t34-,35-,36+,37+,38-,39-,40-/m0/s1.

What are the key properties of 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?

2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde has a molecular weight of 747.22 g/mol, XLogP of 10.66, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is sourced from PubChem (CID 11204950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).