[(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane

C30H60O3Si2 — CID 71605304

IUPAC[(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane
SMILESC=CC[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C/C(C)=C/[C@@H](C)[C@H]1C[C@@H](C)O[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C30H60O3Si2/c1-15-19-27(32-34(16-2,17-3)18-4)24(6)20-23(5)21-25(7)28-22-26(8)31-35(33-28,29(9,10)11)30(12,13)14/h15,21,24-28H,1,16-20,22H2,2-14H3/b23-21+/t24-,25+,26+,27+,28+/m0/s1
InChIKeyKWIZVZLXYNMEBC-OYXAYCRNSA-N
MW524.98 g/mol
LogP9.80
Rot. Bonds12

About [(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane

[(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane (PubChem CID 71605304) has the molecular formula C30H60O3Si2 and a molecular weight of 524.98 g/mol. Its IUPAC name is [(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane
PubChem CID71605304
Molecular FormulaC30H60O3Si2
Molecular Weight524.98 g/mol
Exact Mass524.41
IUPAC Name[(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane
SMILESC=CC[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C/C(C)=C/[C@@H](C)[C@H]1C[C@@H](C)O[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C30H60O3Si2/c1-15-19-27(32-34(16-2,17-3)18-4)24(6)20-23(5)21-25(7)28-22-26(8)31-35(33-28,29(9,10)11)30(12,13)14/h15,21,24-28H,1,16-20,22H2,2-14H3/b23-21+/t24-,25+,26+,27+,28+/m0/s1
InChIKeyKWIZVZLXYNMEBC-OYXAYCRNSA-N
XLogP9.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.98
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane?
The IUPAC name of [(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane (CID 71605304) is [(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane?
The canonical SMILES for [(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane is C=CC[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C/C(C)=C/[C@@H](C)[C@H]1C[C@@H](C)O[Si](C(C)(C)C)(C(C)(C)C)O1.
What is the InChIKey of [(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane?
The InChIKey is KWIZVZLXYNMEBC-OYXAYCRNSA-N. The full InChI is InChI=1S/C30H60O3Si2/c1-15-19-27(32-34(16-2,17-3)18-4)24(6)20-23(5)21-25(7)28-22-26(8)31-35(33-28,29(9,10)11)30(12,13)14/h15,21,24-28H,1,16-20,22H2,2-14H3/b23-21+/t24-,25+,26+,27+,28+/m0/s1.
What are the key properties of [(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane?
[(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane has a molecular weight of 524.98 g/mol, XLogP of 9.80, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane is sourced from PubChem (CID 71605304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).