tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane

C18H36O3Si — CID 173499972

IUPACtert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
SMILESC=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=C(C)COC
InChIInChI=1S/C18H36O3Si/c1-11-16(20-8)17(15(3)12-14(2)13-19-7)21-22(9,10)18(4,5)6/h11-12,15-17H,1,13H2,2-10H3/t15-,16+,17+/m1/s1
InChIKeyBASZPCYAJJUHBJ-IKGGRYGDSA-N
MW328.57 g/mol
LogP4.81
Rot. Bonds9

About tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane

tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane (PubChem CID 173499972) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
PubChem CID173499972
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Nametert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
SMILESC=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=C(C)COC
InChIInChI=1S/C18H36O3Si/c1-11-16(20-8)17(15(3)12-14(2)13-19-7)21-22(9,10)18(4,5)6/h11-12,15-17H,1,13H2,2-10H3/t15-,16+,17+/m1/s1
InChIKeyBASZPCYAJJUHBJ-IKGGRYGDSA-N
XLogP4.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.81
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 tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane (CID 173499972) is tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane is C=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=C(C)COC.
What is the InChIKey of tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane?
The InChIKey is BASZPCYAJJUHBJ-IKGGRYGDSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-11-16(20-8)17(15(3)12-14(2)13-19-7)21-22(9,10)18(4,5)6/h11-12,15-17H,1,13H2,2-10H3/t15-,16+,17+/m1/s1.
What are the key properties of tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane has a molecular weight of 328.57 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4S,5R)-3,8-dimethoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 173499972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).