2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane

C26H50O8Si — CID 11813311

IUPAC2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane
SMILESCOCO[C@@H]([C@H](CC(C)(C)/C=C/C=C/COCOCC[Si](C)(C)C)OCOC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C26H50O8Si/c1-25(2,13-11-10-12-14-29-21-30-15-16-35(7,8)9)17-22(31-19-27-5)24(32-20-28-6)23-18-33-26(3,4)34-23/h10-13,22-24H,14-21H2,1-9H3/b12-10+,13-11+/t22-,23+,24-/m0/s1
InChIKeyVOFYWVKXXWZBBD-AMISFHLJSA-N
MW518.76 g/mol
LogP4.97
Rot. Bonds19

About 2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane

2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane (PubChem CID 11813311) has the molecular formula C26H50O8Si and a molecular weight of 518.76 g/mol. Its IUPAC name is 2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane
PubChem CID11813311
Molecular FormulaC26H50O8Si
Molecular Weight518.76 g/mol
Exact Mass518.33
IUPAC Name2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane
SMILESCOCO[C@@H]([C@H](CC(C)(C)/C=C/C=C/COCOCC[Si](C)(C)C)OCOC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C26H50O8Si/c1-25(2,13-11-10-12-14-29-21-30-15-16-35(7,8)9)17-22(31-19-27-5)24(32-20-28-6)23-18-33-26(3,4)34-23/h10-13,22-24H,14-21H2,1-9H3/b12-10+,13-11+/t22-,23+,24-/m0/s1
InChIKeyVOFYWVKXXWZBBD-AMISFHLJSA-N
XLogP4.97
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.76
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane (CID 11813311) is 2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane is COCO[C@@H]([C@H](CC(C)(C)/C=C/C=C/COCOCC[Si](C)(C)C)OCOC)[C@H]1COC(C)(C)O1.
What is the InChIKey of 2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is VOFYWVKXXWZBBD-AMISFHLJSA-N. The full InChI is InChI=1S/C26H50O8Si/c1-25(2,13-11-10-12-14-29-21-30-15-16-35(7,8)9)17-22(31-19-27-5)24(32-20-28-6)23-18-33-26(3,4)34-23/h10-13,22-24H,14-21H2,1-9H3/b12-10+,13-11+/t22-,23+,24-/m0/s1.
What are the key properties of 2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane?
2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 518.76 g/mol, XLogP of 4.97, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,4E,8S,9S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-bis(methoxymethoxy)-6,6-dimethylnona-2,4-dienoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 11813311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).