2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

C38H64O8Si — CID 11204663

IUPAC2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
SMILESC=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](CC)(CC)CC)[C@H](/C=C/[C@@H]1CC(C)=CCO1)OCOC)OCOC
InChIInChI=1S/C38H64O8Si/c1-9-47(10-2,11-3)46-38(37(44-29-41-8)19-18-35-25-30(4)21-23-42-35)17-13-15-34(43-28-40-7)26-31(5)24-32(6)27-36-16-12-14-33(45-36)20-22-39/h12-15,18-19,21-22,32-38H,5,9-11,16-17,20,23-29H2,1-4,6-8H3/b15-13+,19-18+/t32-,33-,34+,35+,36-,37-,38-/m0/s1
InChIKeyYVJYGSDOXJRFLV-FDAOMHPZSA-N
MW677.01 g/mol
LogP8.26
Rot. Bonds25

About 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (PubChem CID 11204663) has the molecular formula C38H64O8Si and a molecular weight of 677.01 g/mol. Its IUPAC name is 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
PubChem CID11204663
Molecular FormulaC38H64O8Si
Molecular Weight677.01 g/mol
Exact Mass676.44
IUPAC Name2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
SMILESC=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](CC)(CC)CC)[C@H](/C=C/[C@@H]1CC(C)=CCO1)OCOC)OCOC
InChIInChI=1S/C38H64O8Si/c1-9-47(10-2,11-3)46-38(37(44-29-41-8)19-18-35-25-30(4)21-23-42-35)17-13-15-34(43-28-40-7)26-31(5)24-32(6)27-36-16-12-14-33(45-36)20-22-39/h12-15,18-19,21-22,32-38H,5,9-11,16-17,20,23-29H2,1-4,6-8H3/b15-13+,19-18+/t32-,33-,34+,35+,36-,37-,38-/m0/s1
InChIKeyYVJYGSDOXJRFLV-FDAOMHPZSA-N
XLogP8.26
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.01
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-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)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (CID 11204663) is 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-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)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-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)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-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](CC)(CC)CC)[C@H](/C=C/[C@@H]1CC(C)=CCO1)OCOC)OCOC.
What is the InChIKey of 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The InChIKey is YVJYGSDOXJRFLV-FDAOMHPZSA-N. The full InChI is InChI=1S/C38H64O8Si/c1-9-47(10-2,11-3)46-38(37(44-29-41-8)19-18-35-25-30(4)21-23-42-35)17-13-15-34(43-28-40-7)26-31(5)24-32(6)27-36-16-12-14-33(45-36)20-22-39/h12-15,18-19,21-22,32-38H,5,9-11,16-17,20,23-29H2,1-4,6-8H3/b15-13+,19-18+/t32-,33-,34+,35+,36-,37-,38-/m0/s1.
What are the key properties of 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde has a molecular weight of 677.01 g/mol, XLogP of 8.26, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-6,11-bis(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-triethylsilyloxytrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is sourced from PubChem (CID 11204663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).